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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(diphenylmethyl)piperazin-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(diphenylmethyl)-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(4-benzhydrylpiperazino)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C30H34N4OS MolecularWeight: 498.68216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H34N4OS/c1-2-22-13-14-25-26(20-31)30(36-27(25)19-22)32-28(35)21-33-15-17-34(18-16-33)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,22,29H,2,13-19,21H2,1H3,(H,32,35)