Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc2sc1nc(cc1c2)C(=O)NC4C(=O)Nc3ccccc3C4 |
SMILES_CANONICAL | CACTVS | 3.341 | Clc1sc2[nH]c(cc2c1)C(=O)N[C@@H]3Cc4ccccc4NC3=O |
SMILES | CACTVS | 3.341 | Clc1sc2[nH]c(cc2c1)C(=O)N[CH]3Cc4ccccc4NC3=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C[C@H](C(=O)N2)NC(=O)c3cc4cc(sc4[nH]3)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)CC(C(=O)N2)NC(=O)c3cc4cc(sc4[nH]3)Cl |
InChI | InChI | 1.03 | InChI=1S/C16H12ClN3O2S/c17-13-7-9-6-12(20-16(9)23-13)15(22)19-11-5-8-3-1-2-4-10(8)18-14(11)21/h1-4,6-7,11,20H,5H2,(H,18,21)(H,19,22)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | LJAHIGGEXIWVJG-LLVKDONJSA-N |