(4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) 3-phenylprop-2-enoate

Systemtic Name: (4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) 3-phenylprop-2-enoate Openeye Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 3-phenylprop-2-enoate CAS Name: 3-phenyl-2-propenoic acid [4-bromo-2-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 3-phenylprop-2-enoate Traditional Name: 3-phenylacrylic acid [4-bromo-2-(piperidine-1-carbothioyl)phenyl] ester Formula: C21H20BrNO2S MolecularWeight: 430.358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C21H20BrNO2S/c22-17-10-11-19(18(15-17)21(26)23-13-5-2-6-14-23)25-20(24)12-9-16-7-3-1-4-8-16/h1,3-4,7-12,15H,2,5-6,13-14H2