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

Systemtic Name: butyl 4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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