Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc4ccc(C2=NC(c1onc(c1c3sc(c(c23)C)C)C)CC(=O)N)cc4 |
InChI | InChI | 1.03 | InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-4-6-13(21)7-5-12)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | DRSQZZRFHBWKKZ-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc2c3c(C)noc3[C@H](CC(N)=O)N=C(c4ccc(Cl)cc4)c2c1C |
SMILES | CACTVS | 3.385 | Cc1sc2c3c(C)noc3[CH](CC(N)=O)N=C(c4ccc(Cl)cc4)c2c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(sc-2c1C(=N[C@H](c3c2c(no3)C)CC(=O)N)c4ccc(cc4)Cl)C |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(sc-2c1C(=NC(c3c2c(no3)C)CC(=O)N)c4ccc(cc4)Cl)C |