Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N=1c3c(C(NC=1c2cc(C)c(O)c(C)c2)=O)c4c(s3)CN(CC4)C |
InChI | InChI | 1.03 | InChI=1S/C18H19N3O2S/c1-9-6-11(7-10(2)15(9)22)16-19-17(23)14-12-4-5-21(3)8-13(12)24-18(14)20-16/h6-7,22H,4-5,8H2,1-3H3,(H,19,20,23) |
InChIKey | InChI | 1.03 | PXJZRFLBUBYEPV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCc2c(C1)sc3N=C(NC(=O)c23)c4cc(C)c(O)c(C)c4 |
SMILES | CACTVS | 3.385 | CN1CCc2c(C1)sc3N=C(NC(=O)c23)c4cc(C)c(O)c(C)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(cc(c1O)C)C2=Nc3c(c4c(s3)CN(CC4)C)C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(cc(c1O)C)C2=Nc3c(c4c(s3)CN(CC4)C)C(=O)N2 |