S-[(3-cyano-4,6-dimethyl-pyridin-2-yl)methyl] 4-(phenylmethyl)piperazine-1-carbothioate

Systemtic Name: S-[(3-cyano-4,6-dimethyl-pyridin-2-yl)methyl] 4-(phenylmethyl)piperazine-1-carbothioate Openeye Name: S-[(3-cyano-4,6-dimethyl-2-pyridyl)methyl] 4-benzylpiperazine-1-carbothioate CAS Name: 4-(phenylmethyl)-1-piperazinecarbothioic acid S-[(3-cyano-4,6-dimethyl-2-pyridinyl)methyl] ester IUPAC Name: S-[(3-cyano-4,6-dimethylpyridin-2-yl)methyl] 4-benzylpiperazine-1-carbothioate Traditional Name: 4-benzylpiperazine-1-carbothioic acid S-[(3-cyano-4,6-dimethyl-2-pyridyl)methyl] ester Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)CSC(=O)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)CSC(=O)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4OS/c1-16-12-17(2)23-20(19(16)13-22)15-27-21(26)25-10-8-24(9-11-25)14-18-6-4-3-5-7-18/h3-7,12H,8-11,14-15H2,1-2H3