N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-4-methyl-benzamide

Systemtic Name: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-4-methyl-benzamide Openeye Name: N-[2-cyanoethyl(3-pyridylmethyl)carbamothioyl]-4-methyl-benzamide CAS Name: N-[[2-cyanoethyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-4-methylbenzamide Traditional Name: N-[2-cyanoethyl(3-pyridylmethyl)thiocarbamoyl]-4-methyl-benzamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C18H18N4OS/c1-14-5-7-16(8-6-14)17(23)21-18(24)22(11-3-9-19)13-15-4-2-10-20-12-15/h2,4-8,10,12H,3,11,13H2,1H3,(H,21,23,24)