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

Systemtic Name: 4-chloranyl-3-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxopropyl]amino]-4-chlorobenzoic acid IUPAC Name: 4-chloro-3-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C23H20ClN3O3S2 MolecularWeight: 486.0062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN3O3S2/c1-14(21(28)27-20-13-15(22(29)30)7-12-19(20)24)32-18-10-8-17(9-11-18)26-23(31)25-16-5-3-2-4-6-16/h2-14H,1H3,(H,27,28)(H,29,30)(H2,25,26,31)