3-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

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