(1-phenylbenzimidazol-2-yl) (1E)-N-[(4-methoxyphenyl)amino]-2-oxidanylidene-propanimidothioate

Systemtic Name: (1-phenylbenzimidazol-2-yl) (1E)-N-[(4-methoxyphenyl)amino]-2-oxidanylidene-propanimidothioate Openeye Name: (1-phenylbenzimidazol-2-yl) (1E)-N-(4-methoxyanilino)-2-oxo-propanimidothioate CAS Name: (1E)-N-(4-methoxyanilino)-2-oxopropanimidothioic acid (1-phenyl-2-benzimidazolyl) ester IUPAC Name: (1-phenylbenzimidazol-2-yl) (1E)-N-(4-methoxyanilino)-2-oxopropanimidothioate Traditional Name: (1E)-2-keto-N-(p-anisidino)thiopropionimidic acid (1-phenylbenzimidazol-2-yl) ester Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=C(C=C1)OC)SC2=NC3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

CC(=O)/C(=N\NC1=CC=C(C=C1)OC)/SC2=NC3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O2S/c1-16(28)22(26-25-17-12-14-19(29-2)15-13-17)30-23-24-20-10-6-7-11-21(20)27(23)18-8-4-3-5-9-18/h3-15,25H,1-2H3/b26-22+