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

Systemtic Name: 1,3-benzothiazol-2-yl (1E)-N-[(4-bromophenyl)amino]-2-oxidanylidene-propanimidothioate Openeye Name: 1,3-benzothiazol-2-yl (1E)-N-(4-bromoanilino)-2-oxo-propanimidothioate CAS Name: (1E)-N-(4-bromoanilino)-2-oxopropanimidothioic acid 1,3-benzothiazol-2-yl ester IUPAC Name: 1,3-benzothiazol-2-yl (1E)-N-(4-bromoanilino)-2-oxopropanimidothioate Traditional Name: (1E)-N-(4-bromoanilino)-2-keto-thiopropionimidic acid 1,3-benzothiazol-2-yl ester Formula: C16H12BrN3OS2 MolecularWeight: 406.31998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3OS2/c1-10(21)15(20-19-12-8-6-11(17)7-9-12)23-16-18-13-4-2-3-5-14(13)22-16/h2-9,19H,1H3/b20-15+