Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c3sc(c1c2c(ncc1)ncc2)cc3)NC(c4ccccc4)CN |
SMILES_CANONICAL | CACTVS | 3.341 | NC[C@@H](NC(=O)c1sc(cc1)c2ccnc3[nH]ccc23)c4ccccc4 |
SMILES | CACTVS | 3.341 | NC[CH](NC(=O)c1sc(cc1)c2ccnc3[nH]ccc23)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@@H](CN)NC(=O)c2ccc(s2)c3ccnc4c3cc[nH]4 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(CN)NC(=O)c2ccc(s2)c3ccnc4c3cc[nH]4 |
InChI | InChI | 1.03 | InChI=1S/C20H18N4OS/c21-12-16(13-4-2-1-3-5-13)24-20(25)18-7-6-17(26-18)14-8-10-22-19-15(14)9-11-23-19/h1-11,16H,12,21H2,(H,22,23)(H,24,25)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | TWYNGDRSMHRPSY-MRXNPFEDSA-N |