(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone CAS Name: (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Traditional Name: (4-benzylpiperazino)-(5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone Formula: C21H26N2OS MolecularWeight: 354.50894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N2OS/c1-16-7-8-19-18(13-16)14-20(25-19)21(24)23-11-9-22(10-12-23)15-17-5-3-2-4-6-17/h2-6,14,16H,7-13,15H2,1H3