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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazino]acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H26N4O2S/c1-15-2-7-18-19(13-23)22(29-20(18)12-15)24-21(28)14-25-8-10-26(11-9-25)16-3-5-17(27)6-4-16/h3-6,15,27H,2,7-12,14H2,1H3,(H,24,28)