2-chloranyl-5-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C24H22ClN3O3S2 MolecularWeight: 500.03278

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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(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

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

InChI

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