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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-chloranylthiophen-2-yl)methyl]piperazine Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-thienyl)methyl]piperazine CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chloro-2-thiophenyl)methyl]piperazine IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chlorothiophen-2-yl)methyl]piperazine Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-thienyl)methyl]piperazine Formula: C17H20BrClN2O2S MolecularWeight: 431.7749

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=C(S2)Cl)N3CCNCC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=C(S2)Cl)N3CCNCC3)Br)OC

InChI

InChI=1S/C17H20BrClN2O2S/c1-22-13-9-11(12(18)10-14(13)23-2)17(15-3-4-16(19)24-15)21-7-5-20-6-8-21/h3-4,9-10,17,20H,5-8H2,1-2H3