2-methyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: 2-methyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[3-(4-benzylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-benzamide CAS Name: 2-methyl-N-[3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[3-(4-benzylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylbenzamide Traditional Name: N-[3-(4-benzylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-benzamide Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O2S/c1-20-9-5-6-12-22(20)26(32)29-27-25(23-13-7-8-14-24(23)34-27)28(33)31-17-15-30(16-18-31)19-21-10-3-2-4-11-21/h2-6,9-12H,7-8,13-19H2,1H3,(H,29,32)