4-chloranyl-3-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]-4-chloro-benzoic acid CAS Name: 3-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]-4-chlorobenzoic acid Traditional Name: 3-[[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]acetyl]amino]-4-chloro-benzoic acid Formula: C24H20ClN3O4S2 MolecularWeight: 514.0163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C24H20ClN3O4S2/c1-14(29)15-5-8-17(9-6-15)26-24(33)27-18-3-2-4-19(12-18)34-13-22(30)28-21-11-16(23(31)32)7-10-20(21)25/h2-12H,13H2,1H3,(H,28,30)(H,31,32)(H2,26,27,33)