N-[2-(dimethylamino)-3-methyl-butyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(dimethylamino)-3-methyl-butyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(dimethylamino)-3-methyl-butyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(dimethylamino)-3-methylbutyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(dimethylamino)-3-methylbutyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(dimethylamino)-3-methyl-butyl]-5-nitro-benzothiophene-2-carboxamide Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-])N(C)C

Isomeric SMILES

CC(C)C(CNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C16H21N3O3S/c1-10(2)13(18(3)4)9-17-16(20)15-8-11-7-12(19(21)22)5-6-14(11)23-15/h5-8,10,13H,9H2,1-4H3,(H,17,20)