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

Systemtic Name: [3-[3-[butyl-[(phenylmethyl)carbamoyl]amino]phenyl]sulfanylphenyl] ethanoate Openeye Name: [3-[3-[benzylcarbamoyl(butyl)amino]phenyl]sulfanylphenyl] acetate CAS Name: acetic acid [3-[[3-[butyl-[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[3-[benzylcarbamoyl(butyl)amino]phenyl]sulfanylphenyl] acetate Traditional Name: acetic acid [3-[[3-[benzylcarbamoyl(butyl)amino]phenyl]thio]phenyl] ester Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O3S/c1-3-4-16-28(26(30)27-19-21-10-6-5-7-11-21)22-12-8-14-24(17-22)32-25-15-9-13-23(18-25)31-20(2)29/h5-15,17-18H,3-4,16,19H2,1-2H3,(H,27,30)