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

Systemtic Name: 2-chloranyl-5-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]propanoylamino]benzoic acid Formula: C24H22ClN3O4S2 MolecularWeight: 516.03218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C24H22ClN3O4S2/c1-14(22(29)26-16-10-11-19(25)18(13-16)23(30)31)34-17-7-5-6-15(12-17)27-24(33)28-20-8-3-4-9-21(20)32-2/h3-14H,1-2H3,(H,26,29)(H,30,31)(H2,27,28,33)