Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c6cc5C(=O)N(Cc4ccccc4C(Nc1cc(ccc1)c2nc(SC)nc2c3ccnc(c3)NC(C)=O)=O)Cc5cc6 |
InChI | InChI | 1.03 | InChI=1S/C33H28N6O3S/c1-20(40)35-28-17-22(14-15-34-28)30-29(37-33(38-30)43-2)21-10-7-11-25(16-21)36-31(41)26-12-5-3-8-23(26)18-39-19-24-9-4-6-13-27(24)32(39)42/h3-17H,18-19H2,1-2H3,(H,36,41)(H,37,38)(H,34,35,40) |
InChIKey | InChI | 1.03 | MYCFQBCOJLOXJZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CSc1[nH]c(c2ccnc(NC(C)=O)c2)c(n1)c3cccc(NC(=O)c4ccccc4CN5Cc6ccccc6C5=O)c3 |
SMILES | CACTVS | 3.385 | CSc1[nH]c(c2ccnc(NC(C)=O)c2)c(n1)c3cccc(NC(=O)c4ccccc4CN5Cc6ccccc6C5=O)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4ccccc4CN5Cc6ccccc6C5=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4ccccc4CN5Cc6ccccc6C5=O |