[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-chloranyl-4,5-dimethoxy-phenyl)methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-chloranyl-4,5-dimethoxy-phenyl)methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-chloro-4,5-dimethoxy-phenyl)methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-(3-chloro-4,5-dimethoxyphenyl)methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-chloro-4,5-dimethoxyphenyl)methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazino]-(3-chloro-4,5-dimethoxy-phenyl)methanone Formula: C22H23ClN2O3S MolecularWeight: 430.94762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)Cl)OC

InChI

InChI=1S/C22H23ClN2O3S/c1-27-19-12-15(11-18(23)21(19)28-2)22(26)25-9-7-24(8-10-25)13-16-14-29-20-6-4-3-5-17(16)20/h3-6,11-12,14H,7-10,13H2,1-2H3