N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]ethanamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl]acetamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(tetrahydrofuran-2-carbonyl)piperazino]acetamide Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C(=O)C4CCCO4

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C(=O)C4CCCO4

InChI

InChI=1S/C22H30N4O3S/c1-2-15-5-6-16-17(13-23)21(30-19(16)12-15)24-20(27)14-25-7-9-26(10-8-25)22(28)18-4-3-11-29-18/h15,18H,2-12,14H2,1H3,(H,24,27)