2-[4-[4-[(phenylmethyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[4-[(phenylmethyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[4-[benzylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[4-[[oxo-[(phenylmethyl)amino]methyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[4-[benzylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[4-[benzylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid Formula: C31H30N2O3S MolecularWeight: 510.6465

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(C2=CC=C(C=C2)SC3=CC=C(C=C3)CC(=O)O)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCN(C2=CC=C(C=C2)SC3=CC=C(C=C3)CC(=O)O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C31H30N2O3S/c34-30(35)22-25-13-17-28(18-14-25)37-29-19-15-27(16-20-29)33(21-7-12-24-8-3-1-4-9-24)31(36)32-23-26-10-5-2-6-11-26/h1-6,8-11,13-20H,7,12,21-23H2,(H,32,36)(H,34,35)