N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(4-nitrophenyl)piperazino]acetamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O3S/c1-2-16-3-8-19-20(14-24)23(32-21(19)13-16)25-22(29)15-26-9-11-27(12-10-26)17-4-6-18(7-5-17)28(30)31/h4-7,16H,2-3,8-13,15H2,1H3,(H,25,29)