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

Systemtic Name: 3-[4-[3-[heptylcarbamothioyl(methyl)amino]phenyl]phenyl]propanoic acid Openeye Name: 3-[4-[3-[heptylcarbamothioyl(methyl)amino]phenyl]phenyl]propanoic acid CAS Name: 3-[4-[3-[[(heptylamino)-sulfanylidenemethyl]-methylamino]phenyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-[heptylcarbamothioyl(methyl)amino]phenyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-[heptylthiocarbamoyl(methyl)amino]phenyl]phenyl]propionic acid Formula: C24H32N2O2S MolecularWeight: 412.58808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O2S/c1-3-4-5-6-7-17-25-24(29)26(2)22-10-8-9-21(18-22)20-14-11-19(12-15-20)13-16-23(27)28/h8-12,14-15,18H,3-7,13,16-17H2,1-2H3,(H,25,29)(H,27,28)