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

Systemtic Name: 3-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S2/c1-15(21(27)24-19-9-5-6-16(14-19)22(28)29)31-20-12-10-18(11-13-20)26-23(30)25-17-7-3-2-4-8-17/h2-15H,1H3,(H,24,27)(H,28,29)(H2,25,26,30)