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

Systemtic Name: 3-[4-[3-[hexylcarbamothioyl(methyl)amino]phenyl]phenyl]propanoic acid Openeye Name: 3-[4-[3-[hexylcarbamothioyl(methyl)amino]phenyl]phenyl]propanoic acid CAS Name: 3-[4-[3-[[(hexylamino)-sulfanylidenemethyl]-methylamino]phenyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-[hexylcarbamothioyl(methyl)amino]phenyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-[hexylthiocarbamoyl(methyl)amino]phenyl]phenyl]propionic acid Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CCCCCCNC(=S)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C23H30N2O2S/c1-3-4-5-6-16-24-23(28)25(2)21-9-7-8-20(17-21)19-13-10-18(11-14-19)12-15-22(26)27/h7-11,13-14,17H,3-6,12,15-16H2,1-2H3,(H,24,28)(H,26,27)