| Properties | Image |
MNX_ID | MNXM340824 |
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reference | chebi:112426 |
formula | C19H22ClN3OS |
global charge | 0 |
mol weight | 375.925 |
InChIKey | RVGPAIIWLNQLEN-UHFFFAOYSA-N |
InChI | InChI=1S/C19H22ClN3OS/c1-3-21-19(25)23(12-15-5-4-10-24-15)9-8-16-13(2)22-18-7-6-14(20)11-17(16)18/h4-7,10-11,22H,3,8-9,12H2,1-2H3,(H,21,25) |
SMILES | CCNC(=S)N(CCC1=C(C)NC2=C1C=C(Cl)C=C2)CC1=CC=CO1 |
MNX internals
InChI (mnx) | InChI=1/C19H22ClN3OS/c1-3-21-19(25)23(12-15-5-4-10-24-15)9-8-16-13(2)22-18-7-6-14(20)11-17(16)18/h4-7,10-11,22H,3,8-9,12H2,1-2H3,(H,21,25) |
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SMILES (mnx) | [CH3:1][CH2:3][N:21]=[C:19]([N:23]([CH2:9][CH2:8][C:16]1=[C:13]([CH3:2])[NH:22][C:18]2=[C:17]1[CH:11]=[C:14]([Cl:20])[CH:6]=[CH:7]2)[CH2:12][C:15]1=[CH:5][CH:4]=[CH:10][O:24]1)[SH:25] |
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