3-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C24H23N3O3S2/c1-15-9-11-18(12-10-15)26-24(31)27-20-7-4-8-21(14-20)32-16(2)22(28)25-19-6-3-5-17(13-19)23(29)30/h3-14,16H,1-2H3,(H,25,28)(H,29,30)(H2,26,27,31)