1,3-benzothiazol-2-yl (1Z)-N-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-propanimidothioate

Systemtic Name: 1,3-benzothiazol-2-yl (1Z)-N-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-propanimidothioate Openeye Name: 1,3-benzothiazol-2-yl (1Z)-N-(2,4-dichloroanilino)-2-oxo-propanimidothioate CAS Name: (1Z)-N-(2,4-dichloroanilino)-2-oxopropanimidothioic acid 1,3-benzothiazol-2-yl ester IUPAC Name: 1,3-benzothiazol-2-yl (1Z)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate Traditional Name: (1Z)-N-(2,4-dichloroanilino)-2-keto-thiopropionimidic acid 1,3-benzothiazol-2-yl ester Formula: C16H11Cl2N3OS2 MolecularWeight: 396.31404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Cl2N3OS2/c1-9(22)15(21-20-12-7-6-10(17)8-11(12)18)24-16-19-13-4-2-3-5-14(13)23-16/h2-8,20H,1H3/b21-15-