N-[3-[[ethanoyl(methyl)amino]methyl]phenyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[3-[[ethanoyl(methyl)amino]methyl]phenyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-(isoamylthio)-3-nitro-benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CN(C)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CN(C)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4S/c1-15(2)10-11-30-21-9-8-18(13-20(21)25(28)29)22(27)23-19-7-5-6-17(12-19)14-24(4)16(3)26/h5-9,12-13,15H,10-11,14H2,1-4H3,(H,23,27)