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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(phenylcarbonyl)piperazin-1-yl]propanamide Openeye Name: 3-(4-benzoylpiperazin-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-(4-benzoyl-1-piperazinyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-(4-benzoylpiperazino)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCN(CC3)C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCN(CC3)C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H26N4O2S/c24-16-19-18-8-4-5-9-20(18)30-22(19)25-21(28)10-11-26-12-14-27(15-13-26)23(29)17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-15H2,(H,25,28)