N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[2-(dimethylamino)-2-oxo-ethyl]-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(dimethylamino)-2-oxoethyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[2-(dimethylamino)-2-oxoethyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-[2-(dimethylamino)-2-keto-ethyl]-4-(isoamylthio)-3-nitro-benzamide Formula: C16H23N3O4S MolecularWeight: 353.43652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S/c1-11(2)7-8-24-14-6-5-12(9-13(14)19(22)23)16(21)17-10-15(20)18(3)4/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,21)