[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-[2-(dimethylamino)-5-nitrophenyl]methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-[2-(dimethylamino)-5-nitrophenyl]methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazino]-[2-(dimethylamino)-5-nitro-phenyl]methanone Formula: C22H24N4O3S MolecularWeight: 424.51596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C22H24N4O3S/c1-23(2)20-8-7-17(26(28)29)13-19(20)22(27)25-11-9-24(10-12-25)14-16-15-30-21-6-4-3-5-18(16)21/h3-8,13,15H,9-12,14H2,1-2H3