種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C19H24ClN5O3S/c1-19(2,28)18-22-24(10-16(26)21-11-5-4-6-23(3)9-11)17(27)13-7-14-12(25(13)18)8-15(20)29-14/h7-8,11,28H,4-6,9-10H2,1-3H3,(H,21,26) |
InChIKey | InChI | 1.06 | AXAOJXUYQVCGBD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC[C@H](C1)NC(=O)CN2N=C(n3c(cc4sc(Cl)cc34)C2=O)C(C)(C)O |
SMILES | CACTVS | 3.385 | CN1CCC[CH](C1)NC(=O)CN2N=C(n3c(cc4sc(Cl)cc34)C2=O)C(C)(C)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C1=NN(C(=O)c2n1c3cc(sc3c2)Cl)CC(=O)N[C@@H]4CCCN(C4)C)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C1=NN(C(=O)c2n1c3cc(sc3c2)Cl)CC(=O)NC4CCCN(C4)C)O |