1,3-benzothiazol-2-yl (1E)-N-[(3-chlorophenyl)amino]-2-oxidanylidene-propanimidothioate

Systemtic Name: 1,3-benzothiazol-2-yl (1E)-N-[(3-chlorophenyl)amino]-2-oxidanylidene-propanimidothioate Openeye Name: 1,3-benzothiazol-2-yl (1E)-N-(3-chloroanilino)-2-oxo-propanimidothioate CAS Name: (1E)-N-(3-chloroanilino)-2-oxopropanimidothioic acid 1,3-benzothiazol-2-yl ester IUPAC Name: 1,3-benzothiazol-2-yl (1E)-N-(3-chloroanilino)-2-oxopropanimidothioate Traditional Name: (1E)-N-(3-chloroanilino)-2-keto-thiopropionimidic acid 1,3-benzothiazol-2-yl ester Formula: C16H12ClN3OS2 MolecularWeight: 361.86898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC(=CC=C1)Cl)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)/C(=N\NC1=CC(=CC=C1)Cl)/SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H12ClN3OS2/c1-10(21)15(20-19-12-6-4-5-11(17)9-12)23-16-18-13-7-2-3-8-14(13)22-16/h2-9,19H,1H3/b20-15+