methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[(4-methyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylpyrimidin-2-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H19N5O3S2 MolecularWeight: 393.48376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CC1=NC(=NC=C1)NC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C16H19N5O3S2/c1-8-6-7-17-15(18-8)20-16(25)19-12-10(14(23)24-5)9(2)11(26-12)13(22)21(3)4/h6-7H,1-5H3,(H2,17,18,19,20,25)