4-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-[(4-chlorophenyl)thio]-N-[2-(dimethylamino)-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-[2-(dimethylamino)-2-keto-ethyl]-3-nitro-benzamide Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)CNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O4S/c1-20(2)16(22)10-19-17(23)11-3-8-15(14(9-11)21(24)25)26-13-6-4-12(18)5-7-13/h3-9H,10H2,1-2H3,(H,19,23)