WAZ
概要
表記: | (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one |
組成式: | C18 H22 N4 O2 S |
電荷: | 0 |
化学式量: | 358.458 Da |
分子種別: | non-polymer |
化合物名
プログラム | バージョン | 表記 |
OpenEye OEToolkits | 2.0.7 | (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C18H22N4O2S/c1-11(2)6-13(9-24-3)20-18-21-15(17(23)22-18)7-12-4-5-14-16(8-12)25-10-19-14/h4-5,7-8,10-11,13H,6,9H2,1-3H3,(H2,20,21,22,23)/b15-7-/t13-/m1/s1 |
InChIKey | InChI | 1.06 | CHQYAWLKOUOTQO-QVYJARAXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC[C@@H](CC(C)C)NC1=NC(=C\c2ccc3ncsc3c2)/C(=O)N1 |
SMILES | CACTVS | 3.385 | COC[CH](CC(C)C)NC1=NC(=Cc2ccc3ncsc3c2)C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H](COC)NC1=N/C(=C\c2ccc3c(c2)scn3)/C(=O)N1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(COC)NC1=NC(=Cc2ccc3c(c2)scn3)C(=O)N1 |