4-methylsulfanyl-3-nitro-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzamide Openeye Name: N-[2-(benzylamino)-2-oxo-ethyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: 4-(methylthio)-3-nitro-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]benzamide IUPAC Name: N-[2-(benzylamino)-2-oxoethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(benzylamino)-2-keto-ethyl]-4-(methylthio)-3-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-25-15-8-7-13(9-14(15)20(23)24)17(22)19-11-16(21)18-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22)