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

Systemtic Name: (2-methoxy-4-piperidin-1-ylcarbothioyl-phenyl) (E)-3-phenylprop-2-enoate Openeye Name: [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [2-methoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H23NO3S/c1-25-20-16-18(22(27)23-14-6-3-7-15-23)11-12-19(20)26-21(24)13-10-17-8-4-2-5-9-17/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3/b13-10+