(4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: (4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid [4-bromo-2-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dimethoxyphenyl)acrylic acid [4-bromo-2-(piperidine-1-carbothioyl)phenyl] ester Formula: C23H24BrNO4S MolecularWeight: 490.40996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCCC3)OC

InChI

InChI=1S/C23H24BrNO4S/c1-27-20-9-6-16(14-21(20)28-2)7-11-22(26)29-19-10-8-17(24)15-18(19)23(30)25-12-4-3-5-13-25/h6-11,14-15H,3-5,12-13H2,1-2H3/b11-7+