4-(methylamino)-3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-(methylamino)-3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-(methylamino)-3-nitro-benzamide CAS Name: 4-(methylamino)-3-nitro-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-(methylamino)-3-nitro-benzamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3S/c1-18-15-8-7-14(11-16(15)20(22)23)17(21)19-9-10-24-12-13-5-3-2-4-6-13/h2-8,11,18H,9-10,12H2,1H3,(H,19,21)