1-benzothiophen-3-yl-[4-[(4-methylphenyl)-phenyl-methyl]piperazin-1-yl]methanone

Systemtic Name: 1-benzothiophen-3-yl-[4-[(4-methylphenyl)-phenyl-methyl]piperazin-1-yl]methanone Openeye Name: benzothiophen-3-yl-[4-[phenyl(p-tolyl)methyl]piperazin-1-yl]methanone CAS Name: 1-benzothiophen-3-yl-[4-[(4-methylphenyl)-phenylmethyl]-1-piperazinyl]methanone IUPAC Name: 1-benzothiophen-3-yl-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone Traditional Name: benzothiophen-3-yl-[4-[phenyl(p-tolyl)methyl]piperazino]methanone Formula: C27H26N2OS MolecularWeight: 426.57314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CSC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C27H26N2OS/c1-20-11-13-22(14-12-20)26(21-7-3-2-4-8-21)28-15-17-29(18-16-28)27(30)24-19-31-25-10-6-5-9-23(24)25/h2-14,19,26H,15-18H2,1H3