N-[3-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[methyl-[[4-(methylthio)phenyl]methyl]amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-[methyl-[4-(methylthio)benzyl]amino]propyl]-4-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-21(13-14-3-9-17(27-2)10-4-14)18(23)11-12-20-19(24)15-5-7-16(8-6-15)22(25)26/h3-10H,11-13H2,1-2H3,(H,20,24)