[4-[(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)carbamoyl]-2,6-dimethoxy-phenyl] ethyl carbonate

Systemtic Name: [4-[(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)carbamoyl]-2,6-dimethoxy-phenyl] ethyl carbonate Openeye Name: [4-[(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxo-benzimidazol-5-yl)carbamoyl]-2,6-dimethoxy-phenyl] ethyl carbonate CAS Name: carbonic acid [4-[[[6-(cyclohexylthio)-1,3-dimethyl-2-oxo-5-benzimidazolyl]amino]-oxomethyl]-2,6-dimethoxyphenyl] ethyl ester IUPAC Name: [4-[(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]-2,6-dimethoxyphenyl] ethyl carbonate Traditional Name: carbonic acid [4-[[6-(cyclohexylthio)-2-keto-1,3-dimethyl-benzimidazol-5-yl]carbamoyl]-2,6-dimethoxy-phenyl] ethyl ester Formula: C27H33N3O7S MolecularWeight: 543.63182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)NC2=C(C=C3C(=C2)N(C(=O)N3C)C)SC4CCCCC4)OC

Isomeric SMILES

CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)NC2=C(C=C3C(=C2)N(C(=O)N3C)C)SC4CCCCC4)OC

InChI

InChI=1S/C27H33N3O7S/c1-6-36-27(33)37-24-21(34-4)12-16(13-22(24)35-5)25(31)28-18-14-19-20(30(3)26(32)29(19)2)15-23(18)38-17-10-8-7-9-11-17/h12-15,17H,6-11H2,1-5H3,(H,28,31)