N-[2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: N-[2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-1,3-benzothiazol-6-yl]acetamide Formula: C17H13N3O4S2 MolecularWeight: 387.43282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O4S2/c1-10(21)18-12-4-7-14-16(8-12)26-17(19-14)25-9-15(22)11-2-5-13(6-3-11)20(23)24/h2-8H,9H2,1H3,(H,18,21)