[3-[4-[butylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[4-[butylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[butylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[[butylamino(oxo)methyl]-(1-phenylethyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[butylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[butylcarbamoyl(1-phenylethyl)amino]phenyl]thio]phenyl] ester Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(C1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)CCC)C(C)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)N(C1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)CCC)C(C)C3=CC=CC=C3

InChI

InChI=1S/C29H34N2O3S/c1-4-6-20-30-29(33)31(22(3)23-12-8-7-9-13-23)24-16-18-26(19-17-24)35-27-15-10-14-25(21-27)34-28(32)11-5-2/h7-10,12-19,21-22H,4-6,11,20H2,1-3H3,(H,30,33)