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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2O3S/c1-24(34)36-28-15-8-16-30(22-28)37-29-19-17-27(18-20-29)33(21-9-14-25-10-4-2-5-11-25)31(35)32-23-26-12-6-3-7-13-26/h2-8,10-13,15-20,22H,9,14,21,23H2,1H3,(H,32,35)