1-[1-benzothiophen-2-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine

Systemtic Name: 1-[1-benzothiophen-2-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine Openeye Name: 1-[benzothiophen-2-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine CAS Name: 1-[1-benzothiophen-2-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine IUPAC Name: 1-[1-benzothiophen-2-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine Traditional Name: 1-[benzothiophen-2-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3S2)N4CCNCC4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3S2)N4CCNCC4)Br)OC

InChI

InChI=1S/C21H23BrN2O2S/c1-25-17-12-15(16(22)13-18(17)26-2)21(24-9-7-23-8-10-24)20-11-14-5-3-4-6-19(14)27-20/h3-6,11-13,21,23H,7-10H2,1-2H3