| Properties | Image |
|---|
| MNX_ID | MNXM529311 |
 |
| reference | chebi:115510 |
| formula | C18H18N4O4S |
| global charge | 0 |
| mol weight | 386.433 |
| InChIKey | OODXHJLIJWNJIH-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H18N4O4S/c1-2-26-18(25)21-9-7-20(8-10-21)17(24)13-11-12-15(27-13)19-14-5-3-4-6-22(14)16(12)23/h3-6,11H,2,7-10H2,1H3 |
| SMILES | CCOC(=O)N1CCN(C(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)S2)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C18H18N4O4S/c1-2-26-18(25)21-9-7-20(8-10-21)17(24)13-11-12-15(27-13)19-14-5-3-4-6-22(14)16(12)23/h3-6,11H,2,7-10H2,1H3 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][O:26][C:18]([N:21]1[CH2:9][CH2:7][N:20]([C:17]([C:13]2=[CH:11][C:12]3=[C:15]([N:19]=[C:14]4[CH:5]=[CH:3][CH:4]=[CH:6][N:22]4[C:16]3=[O:23])[S:27]2)=[O:24])[CH2:8][CH2:10]1)=[O:25] |
|