(3-piperidin-1-ylcarbothioylphenyl) (E)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: (3-piperidin-1-ylcarbothioylphenyl) (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [3-(piperidine-1-carbothioyl)phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [3-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [3-(piperidine-1-carbothioyl)phenyl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [3-(piperidine-1-carbothioyl)phenyl] ester Formula: C22H20N2O2S MolecularWeight: 376.4714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCN(CC1)C(=S)C2=CC(=CC=C2)OC(=O)/C(=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H20N2O2S/c23-16-19(14-17-8-3-1-4-9-17)22(25)26-20-11-7-10-18(15-20)21(27)24-12-5-2-6-13-24/h1,3-4,7-11,14-15H,2,5-6,12-13H2/b19-14+