5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl-(phenylcarbonyl)amino]pentyl benzoate

Systemtic Name: 5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl-(phenylcarbonyl)amino]pentyl benzoate Openeye Name: 5-[benzoyl-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]amino]pentyl benzoate CAS Name: benzoic acid 5-[benzoyl-[5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentyl]amino]pentyl ester IUPAC Name: 5-[benzoyl-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]amino]pentyl benzoate Traditional Name: benzoic acid 5-[benzoyl-[5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentyl]amino]pentyl ester Formula: C39H41N3O3S MolecularWeight: 631.82614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N2)SCCCCCN(CCCCCOC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N2)SCCCCCN(CCCCCOC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C39H41N3O3S/c43-37(33-23-11-3-12-24-33)42(27-15-5-17-29-45-38(44)34-25-13-4-14-26-34)28-16-6-18-30-46-39-40-35(31-19-7-1-8-20-31)36(41-39)32-21-9-2-10-22-32/h1-4,7-14,19-26H,5-6,15-18,27-30H2,(H,40,41)