1H-benzimidazol-2-yl (1E)-2-oxidanylidene-N-phenylazanyl-propanimidothioate

Systemtic Name: 1H-benzimidazol-2-yl (1E)-2-oxidanylidene-N-phenylazanyl-propanimidothioate Openeye Name: 1H-benzimidazol-2-yl (1E)-N-anilino-2-oxo-propanimidothioate CAS Name: (1E)-N-anilino-2-oxopropanimidothioic acid 1H-benzimidazol-2-yl ester IUPAC Name: 1H-benzimidazol-2-yl (1E)-N-anilino-2-oxopropanimidothioate Traditional Name: (1E)-N-anilino-2-keto-thiopropionimidic acid 1H-benzimidazol-2-yl ester Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=CC=C1)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(=O)/C(=N\NC1=CC=CC=C1)/SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H14N4OS/c1-11(21)15(20-19-12-7-3-2-4-8-12)22-16-17-13-9-5-6-10-14(13)18-16/h2-10,19H,1H3,(H,17,18)/b20-15+