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

Systemtic Name: 4-chloranyl-3-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxobutyl]amino]-4-chlorobenzoic acid IUPAC Name: 4-chloro-3-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C24H22ClN3O3S2 MolecularWeight: 500.03278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O3S2/c1-2-21(22(29)28-20-13-15(23(30)31)11-12-19(20)25)33-18-10-6-9-17(14-18)27-24(32)26-16-7-4-3-5-8-16/h3-14,21H,2H2,1H3,(H,28,29)(H,30,31)(H2,26,27,32)