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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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