Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(nccs1)NC(C(c2ccccc2)N4C(c3ccccc3C4)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C19H15N3O2S/c23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24/h1-11,16H,12H2,(H,20,21,23)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | PWRVRDCBFYLYFU-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1sccn1)[C@H](N2Cc3ccccc3C2=O)c4ccccc4 |
SMILES | CACTVS | 3.385 | O=C(Nc1sccn1)[CH](N2Cc3ccccc3C2=O)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3Cc4ccccc4C3=O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(C(=O)Nc2nccs2)N3Cc4ccccc4C3=O |