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

Systemtic Name: [3-[3-[(phenylmethyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[3-[benzylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[3-[[oxo-[(phenylmethyl)amino]methyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[3-[benzylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[3-[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=CC(=C2)N(CCCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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