[3-[4-[butyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] ethanoate

Systemtic Name: [3-[4-[butyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] ethanoate Openeye Name: [3-[4-[butyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] acetate CAS Name: acetic acid [3-[[4-[butyl-[(hexylamino)-oxomethyl]amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[butyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] acetate Traditional Name: acetic acid [3-[[4-[butyl(hexylcarbamoyl)amino]phenyl]thio]phenyl] ester Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(CCCC)C1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)C

Isomeric SMILES

CCCCCCNC(=O)N(CCCC)C1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)C

InChI

InChI=1S/C25H34N2O3S/c1-4-6-8-9-17-26-25(29)27(18-7-5-2)21-13-15-23(16-14-21)31-24-12-10-11-22(19-24)30-20(3)28/h10-16,19H,4-9,17-18H2,1-3H3,(H,26,29)