1-[(5-bromanylthiophen-2-yl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperazine

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperazine Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(5-bromo-2-thienyl)methyl]piperazine CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(5-bromo-2-thienyl)methyl]piperazine Formula: C24H27BrN2O2S MolecularWeight: 487.45238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=C(S2)Br)N3CCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=C(S2)Br)N3CCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H27BrN2O2S/c1-2-28-21-16-19(8-9-20(21)29-17-18-6-4-3-5-7-18)24(22-10-11-23(25)30-22)27-14-12-26-13-15-27/h3-11,16,24,26H,2,12-15,17H2,1H3