(2Z)-N-(4-nitrophenyl)-3-oxidanylidene-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylidene]butanamide

Systemtic Name: (2Z)-N-(4-nitrophenyl)-3-oxidanylidene-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylidene]butanamide Openeye Name: (2Z)-N-(4-nitrophenyl)-3-oxo-2-[(2-thioxo-1,3-benzothiazol-3-yl)methylene]butanamide CAS Name: (2Z)-N-(4-nitrophenyl)-3-oxo-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylidene]butanamide IUPAC Name: (2Z)-N-(4-nitrophenyl)-3-oxo-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylidene]butanamide Traditional Name: (Z)-2-acetyl-N-(4-nitrophenyl)-3-(2-thioxo-1,3-benzothiazol-3-yl)acrylamide Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CN1C2=CC=CC=C2SC1=S)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C/N1C2=CC=CC=C2SC1=S)/C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4S2/c1-11(22)14(10-20-15-4-2-3-5-16(15)27-18(20)26)17(23)19-12-6-8-13(9-7-12)21(24)25/h2-10H,1H3,(H,19,23)/b14-10-