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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(4-nitrophenyl)piperazino]acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H23N5O3S/c22-13-18-17-3-1-2-4-19(17)30-21(18)23-20(27)14-24-9-11-25(12-10-24)15-5-7-16(8-6-15)26(28)29/h5-8H,1-4,9-12,14H2,(H,23,27)