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

Systemtic Name: 3-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]-3-methyl-benzamide CAS Name: 3-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]-3-methylbenzamide Traditional Name: N-[3-(4-benzylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-methyl-benzamide Formula: C28H31N3O2S MolecularWeight: 473.62964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

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