4-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]-N-phenyl-piperazine-1-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N5O2S/c1-15-12-16(2)23-20(18(15)13-22)29-14-19(27)25-8-10-26(11-9-25)21(28)24-17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3,(H,24,28)