ethyl N-[[(2,6-dimethylpyrimidin-4-yl)-(phenylmethyl)amino]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[(2,6-dimethylpyrimidin-4-yl)-(phenylmethyl)amino]carbamothioyl]carbamate Openeye Name: ethyl N-[[benzyl-(2,6-dimethylpyrimidin-4-yl)amino]carbamothioyl]carbamate CAS Name: N-[[2-(2,6-dimethyl-4-pyrimidinyl)-2-(phenylmethyl)hydrazinyl]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[benzyl-(2,6-dimethylpyrimidin-4-yl)amino]carbamothioyl]carbamate Traditional Name: N-[[benzyl-(2,6-dimethylpyrimidin-4-yl)amino]thiocarbamoyl]carbamic acid ethyl ester Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NN(CC1=CC=CC=C1)C2=NC(=NC(=C2)C)C

Isomeric SMILES

CCOC(=O)NC(=S)NN(CC1=CC=CC=C1)C2=NC(=NC(=C2)C)C

InChI

InChI=1S/C17H21N5O2S/c1-4-24-17(23)20-16(25)21-22(11-14-8-6-5-7-9-14)15-10-12(2)18-13(3)19-15/h5-10H,4,11H2,1-3H3,(H2,20,21,23,25)