種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(Nc1ccc(cc1)C(=O)Nc2c(N)ccc(c2)c3sccc3)C |
InChI | InChI | 1.03 | InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24) |
InChIKey | InChI | 1.03 | ABZSPJVXTTUFAA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3sccc3 |
SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3sccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3 |