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

Systemtic Name: 2-[[4-[3-[(2-methyloctanethioylamino)methyl]phenyl]phenyl]amino]benzoic acid Openeye Name: 2-[4-[3-[(2-methyloctanethioylamino)methyl]phenyl]anilino]benzoic acid CAS Name: 2-[4-[3-[[(2-methyl-1-sulfanylideneoctyl)amino]methyl]phenyl]anilino]benzoic acid IUPAC Name: 2-[4-[3-[(2-methyloctanethioylamino)methyl]phenyl]anilino]benzoic acid Traditional Name: 2-[4-[3-[(2-methyloctanethioylamino)methyl]phenyl]anilino]benzoic acid Formula: C29H34N2O2S MolecularWeight: 474.65746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=S)NCC1=CC=CC(=C1)C2=CC=C(C=C2)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCCC(C)C(=S)NCC1=CC=CC(=C1)C2=CC=C(C=C2)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C29H34N2O2S/c1-3-4-5-6-10-21(2)28(34)30-20-22-11-9-12-24(19-22)23-15-17-25(18-16-23)31-27-14-8-7-13-26(27)29(32)33/h7-9,11-19,21,31H,3-6,10,20H2,1-2H3,(H,30,34)(H,32,33)