Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O\C=C)c1c3c(sc1NC(=O)Cc2ccccc2)CN(C(=O)N\C=C)CC3 |
InChI | InChI | 1.03 | InChI=1S/C21H21N3O4S/c1-3-22-21(27)24-11-10-15-16(13-24)29-19(18(15)20(26)28-4-2)23-17(25)12-14-8-6-5-7-9-14/h3-9H,1-2,10-13H2,(H,22,27)(H,23,25) |
InChIKey | InChI | 1.03 | WQVFFOUZABKGIL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C=CNC(=O)N1CCc2c(C1)sc(NC(=O)Cc3ccccc3)c2C(=O)OC=C |
SMILES | CACTVS | 3.370 | C=CNC(=O)N1CCc2c(C1)sc(NC(=O)Cc3ccccc3)c2C(=O)OC=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C=CNC(=O)N1CCc2c(sc(c2C(=O)OC=C)NC(=O)Cc3ccccc3)C1 |
SMILES | OpenEye OEToolkits | 1.7.2 | C=CNC(=O)N1CCc2c(sc(c2C(=O)OC=C)NC(=O)Cc3ccccc3)C1 |