2-[4-[3-[heptyl(naphthalen-2-ylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[3-[heptyl(naphthalen-2-ylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[heptyl(2-naphthylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[heptyl-[(2-naphthalenylamino)-oxomethyl]amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[heptyl(naphthalen-2-ylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[heptyl(2-naphthylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid Formula: C32H34N2O3S MolecularWeight: 526.68896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)O)C(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)O)C(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C32H34N2O3S/c1-2-3-4-5-8-20-34(32(37)33-27-17-16-25-10-6-7-11-26(25)22-27)28-12-9-13-30(23-28)38-29-18-14-24(15-19-29)21-31(35)36/h6-7,9-19,22-23H,2-5,8,20-21H2,1H3,(H,33,37)(H,35,36)