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

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

Isomeric SMILES

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

InChI

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