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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-nitro-4-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)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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