Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C14H17N3O3S2/c1-8-3-4-11(20-8)13(19)17-7-21-6-10(17)12(18)16-14-15-5-9(2)22-14/h3-5,10,14-15H,6-7H2,1-2H3,(H,16,18)/t10-,14+/m1/s1 |
InChIKey | InChI | 1.06 | UAKUHPRPOILDIK-YGRLFVJLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(cc1)C(=O)N2CSC[C@@H]2C(=O)N[C@@H]3NC=C(C)S3 |
SMILES | CACTVS | 3.385 | Cc1oc(cc1)C(=O)N2CSC[CH]2C(=O)N[CH]3NC=C(C)S3 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(o1)C(=O)N2CSCC2C(=O)NC3NC=C(S3)C |
SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(o1)C(=O)N2CSCC2C(=O)NC3NC=C(S3)C |