N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-2-piperidino-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C21H22N4O3S/c22-13-17-15-6-2-3-7-19(15)29-21(17)23-20(26)16-12-14(25(27)28)8-9-18(16)24-10-4-1-5-11-24/h8-9,12H,1-7,10-11H2,(H,23,26)