2-[[4-[3-[hexylcarbamothioyl(methyl)amino]phenyl]phenyl]amino]benzoic acid

Systemtic Name: 2-[[4-[3-[hexylcarbamothioyl(methyl)amino]phenyl]phenyl]amino]benzoic acid Openeye Name: 2-[4-[3-[hexylcarbamothioyl(methyl)amino]phenyl]anilino]benzoic acid CAS Name: 2-[4-[3-[[(hexylamino)-sulfanylidenemethyl]-methylamino]phenyl]anilino]benzoic acid IUPAC Name: 2-[4-[3-[hexylcarbamothioyl(methyl)amino]phenyl]anilino]benzoic acid Traditional Name: 2-[4-[3-[hexylthiocarbamoyl(methyl)amino]phenyl]anilino]benzoic acid Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCCNC(=S)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C27H31N3O2S/c1-3-4-5-8-18-28-27(33)30(2)23-11-9-10-21(19-23)20-14-16-22(17-15-20)29-25-13-7-6-12-24(25)26(31)32/h6-7,9-17,19,29H,3-5,8,18H2,1-2H3,(H,28,33)(H,31,32)