2-(4-chlorophenyl)-N-[(4,6-diethoxypyrimidin-2-yl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: 2-(4-chlorophenyl)-N-[(4,6-diethoxypyrimidin-2-yl)carbamothioyl]-3-methyl-butanamide Openeye Name: 2-(4-chlorophenyl)-N-[(4,6-diethoxypyrimidin-2-yl)carbamothioyl]-3-methyl-butanamide CAS Name: 2-(4-chlorophenyl)-N-[[(4,6-diethoxy-2-pyrimidinyl)amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: 2-(4-chlorophenyl)-N-[(4,6-diethoxypyrimidin-2-yl)carbamothioyl]-3-methylbutanamide Traditional Name: 2-(4-chlorophenyl)-N-[(4,6-diethoxypyrimidin-2-yl)thiocarbamoyl]-3-methyl-butyramide Formula: C20H25ClN4O3S MolecularWeight: 436.9555

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC(=N1)NC(=S)NC(=O)C(C2=CC=C(C=C2)Cl)C(C)C)OCC

Isomeric SMILES

CCOC1=CC(=NC(=N1)NC(=S)NC(=O)C(C2=CC=C(C=C2)Cl)C(C)C)OCC

InChI

InChI=1S/C20H25ClN4O3S/c1-5-27-15-11-16(28-6-2)23-19(22-15)25-20(29)24-18(26)17(12(3)4)13-7-9-14(21)10-8-13/h7-12,17H,5-6H2,1-4H3,(H2,22,23,24,25,26,29)