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

Systemtic Name: (3-chloranyl-6-methyl-1-benzothiophen-2-yl)-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-benzyloxyphenyl)piperazin-1-yl]-(3-chloro-6-methyl-benzothiophen-2-yl)methanone CAS Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-[4-(4-phenylmethoxyphenyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-benzoxyphenyl)piperazino]-(3-chloro-6-methyl-benzothiophen-2-yl)methanone Formula: C27H25ClN2O2S MolecularWeight: 477.0176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C27H25ClN2O2S/c1-19-7-12-23-24(17-19)33-26(25(23)28)27(31)30-15-13-29(14-16-30)21-8-10-22(11-9-21)32-18-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3