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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(2-ethoxyphenyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-o-phenetylpiperazino)propionamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C24H30N4O2S/c1-2-30-21-9-5-4-8-20(21)28-15-13-27(14-16-28)12-11-23(29)26-24-19(17-25)18-7-3-6-10-22(18)31-24/h4-5,8-9H,2-3,6-7,10-16H2,1H3,(H,26,29)