種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N(C1CC1)C(=O)c2ccc(s2)c3cccc4sc(cc34)NC(C)=O |
InChI | InChI | 1.03 | InChI=1S/C18H16N2O2S2/c1-10(21)19-17-9-13-12(3-2-4-14(13)24-17)15-7-8-16(23-15)18(22)20-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,19,21)(H,20,22) |
InChIKey | InChI | 1.03 | VAHDZEQDAMISFZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1sc2cccc(c3sc(cc3)C(=O)NC4CC4)c2c1 |
SMILES | CACTVS | 3.385 | CC(=O)Nc1sc2cccc(c3sc(cc3)C(=O)NC4CC4)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cc2c(cccc2s1)c3ccc(s3)C(=O)NC4CC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cc2c(cccc2s1)c3ccc(s3)C(=O)NC4CC4 |