種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C(N)(c4cc3c(c1ccc(s1)C(NCc2c(cccc2)N)=O)cccc3s4)=O |
InChI | InChI | 1.03 | InChI=1S/C21H17N3O2S2/c22-15-6-2-1-4-12(15)11-24-21(26)18-9-8-17(27-18)13-5-3-7-16-14(13)10-19(28-16)20(23)25/h1-10H,11,22H2,(H2,23,25)(H,24,26) |
InChIKey | InChI | 1.03 | UQZFCZAYARDQIK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NCc4ccccc4N)c2c1 |
SMILES | CACTVS | 3.385 | NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NCc4ccccc4N)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N)N |