N-ethyl-4-(4-methylpiperidin-1-yl)-3-nitro-N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]benzamide

Systemtic Name: N-ethyl-4-(4-methylpiperidin-1-yl)-3-nitro-N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]benzamide Openeye Name: N-ethyl-4-(4-methyl-1-piperidyl)-3-nitro-N-[2-oxo-2-(2-thienylmethylamino)ethyl]benzamide CAS Name: N-ethyl-4-(4-methyl-1-piperidinyl)-3-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide IUPAC Name: N-ethyl-4-(4-methylpiperidin-1-yl)-3-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide Traditional Name: N-ethyl-N-[2-keto-2-(2-thenylamino)ethyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C22H28N4O4S MolecularWeight: 444.54712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4S/c1-3-24(15-21(27)23-14-18-5-4-12-31-18)22(28)17-6-7-19(20(13-17)26(29)30)25-10-8-16(2)9-11-25/h4-7,12-13,16H,3,8-11,14-15H2,1-2H3,(H,23,27)