N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide

Systemtic Name: N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide Openeye Name: N-[2-(methylamino)-2-oxo-ethyl]-2-(4-methylsulfanyl-3-nitro-benzoyl)benzamide CAS Name: N-[2-(methylamino)-2-oxoethyl]-2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzamide IUPAC Name: N-[2-(methylamino)-2-oxoethyl]-2-(4-methylsulfanyl-3-nitrobenzoyl)benzamide Traditional Name: N-[2-keto-2-(methylamino)ethyl]-2-[4-(methylthio)-3-nitro-benzoyl]benzamide Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)CNC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c1-19-16(22)10-20-18(24)13-6-4-3-5-12(13)17(23)11-7-8-15(27-2)14(9-11)21(25)26/h3-9H,10H2,1-2H3,(H,19,22)(H,20,24)