S-[1-(3,4,5-trimethoxyphenyl)carbonylbenzimidazol-2-yl] 3,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-[1-(3,4,5-trimethoxyphenyl)carbonylbenzimidazol-2-yl] 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[1-(3,4,5-trimethoxybenzoyl)benzimidazol-2-yl] 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-[1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-benzimidazolyl] ester IUPAC Name: S-[1-(3,4,5-trimethoxybenzoyl)benzimidazol-2-yl] 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-[1-(3,4,5-trimethoxybenzoyl)benzimidazol-2-yl] ester Formula: C27H26N2O8S MolecularWeight: 538.56894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=CC=CC=C3N=C2SC(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=CC=CC=C3N=C2SC(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C27H26N2O8S/c1-32-19-11-15(12-20(33-2)23(19)36-5)25(30)29-18-10-8-7-9-17(18)28-27(29)38-26(31)16-13-21(34-3)24(37-6)22(14-16)35-4/h7-14H,1-6H3