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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[(4-methyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylpyrimidin-2-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H23N5O3S2 MolecularWeight: 421.53692

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NC=CC(=N2)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NC=CC(=N2)C)C(=O)OC)C

InChI

InChI=1S/C18H23N5O3S2/c1-6-23(7-2)15(24)13-11(4)12(16(25)26-5)14(28-13)21-18(27)22-17-19-9-8-10(3)20-17/h8-9H,6-7H2,1-5H3,(H2,19,20,21,22,27)