(E)-4-oxidanylidene-4-[phenyl(phenylcarbamothioyl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[phenyl(phenylcarbamothioyl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[N-(phenylcarbamothioyl)anilino]but-2-enoic acid CAS Name: (E)-4-(N-[anilino(sulfanylidene)methyl]anilino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[N-(phenylcarbamothioyl)anilino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[N-(phenylthiocarbamoyl)anilino]but-2-enoic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)N(C2=CC=CC=C2)C(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N(C2=CC=CC=C2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H14N2O3S/c20-15(11-12-16(21)22)19(14-9-5-2-6-10-14)17(23)18-13-7-3-1-4-8-13/h1-12H,(H,18,23)(H,21,22)/b12-11+