[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-bromanyl-4-methoxy-phenyl)methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-bromanyl-4-methoxy-phenyl)methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-bromo-4-methoxy-phenyl)methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-(3-bromo-4-methoxyphenyl)methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3-bromo-4-methoxyphenyl)methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazino]-(3-bromo-4-methoxy-phenyl)methanone Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O2S/c1-26-19-7-6-15(12-18(19)22)21(25)24-10-8-23(9-11-24)13-16-14-27-20-5-3-2-4-17(16)20/h2-7,12,14H,8-11,13H2,1H3