2-(4-cyclohexylpiperazin-1-yl)-N-[3-(4-methylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-N-[3-(4-methylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-(4-cyclohexylpiperazin-1-yl)-N-[3-(4-methylbenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-N-[3-[(4-methylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-(4-cyclohexylpiperazin-1-yl)-N-[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: 2-(4-cyclohexylpiperazino)-N-(3-p-toluoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C28H37N3O2S MolecularWeight: 479.67728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)CN4CCN(CC4)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)CN4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C28H37N3O2S/c1-20-11-13-21(14-12-20)27(33)26-23-9-5-6-10-24(23)34-28(26)29-25(32)19-30-15-17-31(18-16-30)22-7-3-2-4-8-22/h11-14,22H,2-10,15-19H2,1H3,(H,29,32)