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

Systemtic Name: N-[3-(4-methylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenylpiperazin-1-yl)ethanamide Openeye Name: N-[3-(4-methylbenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide CAS Name: N-[3-[(4-methylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenyl-1-piperazinyl)acetamide IUPAC Name: N-[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide Traditional Name: 2-(4-phenylpiperazino)-N-(3-p-toluoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C28H31N3O2S MolecularWeight: 473.62964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O2S/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/h2-4,7-8,11-14H,5-6,9-10,15-19H2,1H3,(H,29,32)