N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C20H26N4O4S/c1-6-26-15-10-14(11-16(27-7-2)17(15)28-8-3)18(25)23-20(29)24-19-21-12(4)9-13(5)22-19/h9-11H,6-8H2,1-5H3,(H2,21,22,23,24,25,29)