[1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidin-3-yl]methyl N-(1-benzothiophen-3-ylmethyl)carbamate

Systemtic Name: [1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidin-3-yl]methyl N-(1-benzothiophen-3-ylmethyl)carbamate Openeye Name: [1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-piperidyl]methyl N-(benzothiophen-3-ylmethyl)carbamate CAS Name: N-(1-benzothiophen-3-ylmethyl)carbamic acid [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-piperidinyl]methyl ester IUPAC Name: [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl N-(1-benzothiophen-3-ylmethyl)carbamate Traditional Name: N-(benzothiophen-3-ylmethyl)carbamic acid [1-(2-bromo-4,5-dimethoxy-benzyl)-3-piperidyl]methyl ester Formula: C25H29BrN2O4S MolecularWeight: 533.47776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCCC(C2)COC(=O)NCC3=CSC4=CC=CC=C43)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCCC(C2)COC(=O)NCC3=CSC4=CC=CC=C43)Br)OC

InChI

InChI=1S/C25H29BrN2O4S/c1-30-22-10-18(21(26)11-23(22)31-2)14-28-9-5-6-17(13-28)15-32-25(29)27-12-19-16-33-24-8-4-3-7-20(19)24/h3-4,7-8,10-11,16-17H,5-6,9,12-15H2,1-2H3,(H,27,29)