N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(2-pyridyl)piperazin-1-yl]propanamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(2-pyridinyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(2-pyridyl)piperazino]propionamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H27N5OS/c1-16-5-6-17-18(15-23)22(29-19(17)14-16)25-21(28)7-9-26-10-12-27(13-11-26)20-4-2-3-8-24-20/h2-4,8,16H,5-7,9-14H2,1H3,(H,25,28)