S-[1-(3,5-dimethoxyphenyl)carbonylbenzimidazol-2-yl] 3,5-dimethoxybenzenecarbothioate

Systemtic Name: S-[1-(3,5-dimethoxyphenyl)carbonylbenzimidazol-2-yl] 3,5-dimethoxybenzenecarbothioate Openeye Name: S-[1-(3,5-dimethoxybenzoyl)benzimidazol-2-yl] 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-[1-[(3,5-dimethoxyphenyl)-oxomethyl]-2-benzimidazolyl] ester IUPAC Name: S-[1-(3,5-dimethoxybenzoyl)benzimidazol-2-yl] 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-dimethoxythiobenzoic acid S-[1-(3,5-dimethoxybenzoyl)benzimidazol-2-yl] ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2C3=CC=CC=C3N=C2SC(=O)C4=CC(=CC(=C4)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2C3=CC=CC=C3N=C2SC(=O)C4=CC(=CC(=C4)OC)OC)OC

InChI

InChI=1S/C25H22N2O6S/c1-30-17-9-15(10-18(13-17)31-2)23(28)27-22-8-6-5-7-21(22)26-25(27)34-24(29)16-11-19(32-3)14-20(12-16)33-4/h5-14H,1-4H3