butyl 3-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 3-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 3-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3S/c1-2-3-17-34-27(33)22-15-10-16-23(18-22)29-24(32)19-35-28-30-25(20-11-6-4-7-12-20)26(31-28)21-13-8-5-9-14-21/h4-16,18H,2-3,17,19H2,1H3,(H,29,32)(H,30,31)