2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(4-methyl-2-nitro-phenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CSC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CSC4=CC=CC=C43)[N+](=O)[O-]

InChI

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