4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]propanoylamino]benzoic acid Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O4S2/c1-15(22(28)25-17-12-10-16(11-13-17)23(29)30)33-19-7-5-6-18(14-19)26-24(32)27-20-8-3-4-9-21(20)31-2/h3-15H,1-2H3,(H,25,28)(H,29,30)(H2,26,27,32)