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

Systemtic Name: [3-[4-[heptyl-[(phenylmethyl)carbamoyl]amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[benzylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[heptyl-[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[benzylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[benzylcarbamoyl(heptyl)amino]phenyl]thio]phenyl] ester Formula: C31H38N2O3S MolecularWeight: 518.71002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O3S/c1-3-5-6-7-11-22-33(31(35)32-24-25-14-9-8-10-15-25)26-18-20-28(21-19-26)37-29-17-12-16-27(23-29)36-30(34)13-4-2/h8-10,12,14-21,23H,3-7,11,13,22,24H2,1-2H3,(H,32,35)