[3-[4-[(phenylmethyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[4-[(phenylmethyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[benzylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[[oxo-[(phenylmethyl)amino]methyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[benzylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[benzylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl] ester Formula: C33H34N2O3S MolecularWeight: 538.69966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=CC=C1)SC2=CC=C(C=C2)N(CCCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)OC1=CC(=CC=C1)SC2=CC=C(C=C2)N(CCCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C33H34N2O3S/c1-2-11-32(36)38-29-17-9-18-31(24-29)39-30-21-19-28(20-22-30)35(23-10-16-26-12-5-3-6-13-26)33(37)34-25-27-14-7-4-8-15-27/h3-9,12-15,17-22,24H,2,10-11,16,23,25H2,1H3,(H,34,37)