N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]-3-nitro-benzamide

Systemtic Name: N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]-3-nitro-benzamide Openeye Name: N-cyclopropyl-4-[[2-(dimethylamino)-2-(2-thienyl)ethyl]amino]-3-nitro-benzamide CAS Name: N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-nitrobenzamide IUPAC Name: N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-nitrobenzamide Traditional Name: N-cyclopropyl-4-[[2-(dimethylamino)-2-(2-thienyl)ethyl]amino]-3-nitro-benzamide Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC1=C(C=C(C=C1)C(=O)NC2CC2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC1=C(C=C(C=C1)C(=O)NC2CC2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H22N4O3S/c1-21(2)16(17-4-3-9-26-17)11-19-14-8-5-12(10-15(14)22(24)25)18(23)20-13-6-7-13/h3-5,8-10,13,16,19H,6-7,11H2,1-2H3,(H,20,23)