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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC=CC(=C2)C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC=CC(=C2)C(=O)N(C)C)[N+](=O)[O-]

InChI

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