2-[2-cyanoethyl(pyridin-4-ylcarbamothioyl)amino]-4-methyl-pentanediamide

Systemtic Name: 2-[2-cyanoethyl(pyridin-4-ylcarbamothioyl)amino]-4-methyl-pentanediamide Openeye Name: 2-[2-cyanoethyl(4-pyridylcarbamothioyl)amino]-4-methyl-pentanediamide CAS Name: 2-[2-cyanoethyl-[(pyridin-4-ylamino)-sulfanylidenemethyl]amino]-4-methylpentanediamide IUPAC Name: 2-[2-cyanoethyl(pyridin-4-ylcarbamothioyl)amino]-4-methylpentanediamide Traditional Name: 2-[2-cyanoethyl(4-pyridylthiocarbamoyl)amino]-4-methyl-glutaramide Formula: C15H20N6O2S MolecularWeight: 348.4233

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)N)N(CCC#N)C(=S)NC1=CC=NC=C1)C(=O)N

Isomeric SMILES

CC(CC(C(=O)N)N(CCC#N)C(=S)NC1=CC=NC=C1)C(=O)N

InChI

InChI=1S/C15H20N6O2S/c1-10(13(17)22)9-12(14(18)23)21(8-2-5-16)15(24)20-11-3-6-19-7-4-11/h3-4,6-7,10,12H,2,8-9H2,1H3,(H2,17,22)(H2,18,23)(H,19,20,24)