O1-tert-butyl O2-pentan-3-yl 4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-pentan-3-yl 4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-(1-ethylpropyl) 4-[6-chloro-2-(1-ethylpropylsulfanyl)-1H-benzimidazol-5-yl]piperazine-1,2-dicarboxylate CAS Name: 4-[6-chloro-2-(pentan-3-ylthio)-1H-benzimidazol-5-yl]piperazine-1,2-dicarboxylic acid O1-tert-butyl ester O2-pentan-3-yl ester IUPAC Name: 1-O-tert-butyl 2-O-pentan-3-yl 4-(6-chloro-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazine-1,2-dicarboxylate Traditional Name: 4-[6-chloro-2-(1-ethylpropylthio)-1H-benzimidazol-5-yl]piperazine-1,2-dicarboxylic acid O1-tert-butyl ester O2-(1-ethylpropyl) ester Formula: C27H41ClN4O4S MolecularWeight: 553.15684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(=O)C1CN(CCN1C(=O)OC(C)(C)C)C2=C(C=C3C(=C2)N=C(N3)SC(CC)CC)Cl

Isomeric SMILES

CCC(CC)OC(=O)C1CN(CCN1C(=O)OC(C)(C)C)C2=C(C=C3C(=C2)N=C(N3)SC(CC)CC)Cl

InChI

InChI=1S/C27H41ClN4O4S/c1-8-17(9-2)35-24(33)23-16-31(12-13-32(23)26(34)36-27(5,6)7)22-15-21-20(14-19(22)28)29-25(30-21)37-18(10-3)11-4/h14-15,17-18,23H,8-13,16H2,1-7H3,(H,29,30)