2-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]sulfanylbenzoic acid Openeye Name: 2-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]sulfanylbenzoic acid CAS Name: 2-[[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]phenyl]thio]benzoic acid IUPAC Name: 2-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]sulfanylbenzoic acid Traditional Name: 2-[[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]thio]benzoic acid Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C28H32N2O3S/c1-3-4-5-6-9-19-29-28(33)30(2)23-12-10-11-22(20-23)21-15-17-24(18-16-21)34-26-14-8-7-13-25(26)27(31)32/h7-8,10-18,20H,3-6,9,19H2,1-2H3,(H,29,33)(H,31,32)