Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1sc(cc1C(=O)N)c2ccc(OCCN(C)C)cc2)N |
SMILES_CANONICAL | CACTVS | 3.370 | CN(C)CCOc1ccc(cc1)c2sc(NC(N)=O)c(c2)C(N)=O |
SMILES | CACTVS | 3.370 | CN(C)CCOc1ccc(cc1)c2sc(NC(N)=O)c(c2)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C16H20N4O3S/c1-20(2)7-8-23-11-5-3-10(4-6-11)13-9-12(14(17)21)15(24-13)19-16(18)22/h3-6,9H,7-8H2,1-2H3,(H2,17,21)(H3,18,19,22) |
InChIKey | InChI | 1.03 | RFSVVCBVIFWEMZ-UHFFFAOYSA-N |