S-(1-phenethylbenzimidazol-2-yl) 3,5-dimethoxybenzenecarbothioate

Systemtic Name: S-(1-phenethylbenzimidazol-2-yl) 3,5-dimethoxybenzenecarbothioate Openeye Name: S-(1-phenethylbenzimidazol-2-yl) 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-(1-phenethyl-2-benzimidazolyl) ester IUPAC Name: S-(1-phenethylbenzimidazol-2-yl) 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-dimethoxythiobenzoic acid S-(1-phenethylbenzimidazol-2-yl) ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)SC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)SC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)OC

InChI

InChI=1S/C24H22N2O3S/c1-28-19-14-18(15-20(16-19)29-2)23(27)30-24-25-21-10-6-7-11-22(21)26(24)13-12-17-8-4-3-5-9-17/h3-11,14-16H,12-13H2,1-2H3