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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(2-thienylmethyl)piperazin-1-yl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(2-thenyl)piperazino]propionamide Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCN(CC3)CC4=CC=CS4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCN(CC3)CC4=CC=CS4)C#N

InChI

InChI=1S/C21H26N4OS2/c22-14-18-17-5-1-2-6-19(17)28-21(18)23-20(26)7-8-24-9-11-25(12-10-24)15-16-4-3-13-27-16/h3-4,13H,1-2,5-12,15H2,(H,23,26)