2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide CAS Name: 2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: 2-[4-(benzothiophen-3-ylmethyl)piperazino]-N-(2-nitrophenyl)propionamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C22H24N4O3S/c1-16(22(27)23-19-7-3-4-8-20(19)26(28)29)25-12-10-24(11-13-25)14-17-15-30-21-9-5-2-6-18(17)21/h2-9,15-16H,10-14H2,1H3,(H,23,27)