[3-[4-[butyl-[(phenylmethyl)carbamoyl]amino]phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[4-[butyl-[(phenylmethyl)carbamoyl]amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[benzylcarbamoyl(butyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[butyl-[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[benzylcarbamoyl(butyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[benzylcarbamoyl(butyl)amino]phenyl]thio]phenyl] ester Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O3S/c1-3-5-19-30(28(32)29-21-22-11-7-6-8-12-22)23-15-17-25(18-16-23)34-26-14-9-13-24(20-26)33-27(31)10-4-2/h6-9,11-18,20H,3-5,10,19,21H2,1-2H3,(H,29,32)