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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(2-keto-2-piperidino-ethyl)piperazino]propionamide Formula: C23H33N5O2S MolecularWeight: 443.60542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)CCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)CCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C23H33N5O2S/c24-16-19-18-6-2-3-7-20(18)31-23(19)25-21(29)8-11-26-12-14-27(15-13-26)17-22(30)28-9-4-1-5-10-28/h1-15,17H2,(H,25,29)