4-nitro-N-[2-(2-oxidanylidenepropylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-nitro-N-[2-(2-oxidanylidenepropylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-(2-acetonylsulfanyl-1,3-benzothiazol-6-yl)-4-nitro-benzamide CAS Name: 4-nitro-N-[2-(2-oxopropylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-nitro-N-[2-(2-oxopropylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-(acetonylthio)-1,3-benzothiazol-6-yl]-4-nitro-benzamide Formula: C17H13N3O4S2 MolecularWeight: 387.43282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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