(3-chloranyl-6-methyl-1-benzothiophen-2-yl)-[4-(diphenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-6-methyl-1-benzothiophen-2-yl)-[4-(diphenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-(3-chloro-6-methyl-benzothiophen-2-yl)methanone CAS Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-[4-(diphenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-(3-chloro-6-methyl-1-benzothiophen-2-yl)methanone Traditional Name: (4-benzhydrylpiperazino)-(3-chloro-6-methyl-benzothiophen-2-yl)methanone Formula: C27H25ClN2OS MolecularWeight: 461.0182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H25ClN2OS/c1-19-12-13-22-23(18-19)32-26(24(22)28)27(31)30-16-14-29(15-17-30)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,25H,14-17H2,1H3