Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | S(C)c2c4c(c(c1nncc1)s2)CC(c3ccccc3)NC4=O |
InChI | InChI | 1.03 | InChI=1S/C17H15N3OS2/c1-22-17-14-11(15(23-17)12-7-8-18-20-12)9-13(19-16(14)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,18,20)(H,19,21)/t13-/m1/s1 |
InChIKey | InChI | 1.03 | JFNXRABTLWJEOU-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CSc1sc(c2C[C@@H](NC(=O)c12)c3ccccc3)c4cc[nH]n4 |
SMILES | CACTVS | 3.385 | CSc1sc(c2C[CH](NC(=O)c12)c3ccccc3)c4cc[nH]n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CSc1c2c(c(s1)c3cc[nH]n3)C[C@@H](NC2=O)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.4 | CSc1c2c(c(s1)c3cc[nH]n3)CC(NC2=O)c4ccccc4 |