methyl 4-methyl-3-[2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)CCCC3

InChI

InChI=1S/C24H25N3O3S/c1-16-12-13-17(23(29)30-2)14-20(16)25-22(28)15-31-24-26-19-10-6-7-11-21(19)27(24)18-8-4-3-5-9-18/h3-5,8-9,12-14H,6-7,10-11,15H2,1-2H3,(H,25,28)