ethyl 2-[(4-methylpyrimidin-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methylpyrimidin-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methylpyrimidin-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-methyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylpyrimidin-2-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-methylpyrimidin-2-yl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NC=CC(=N3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NC=CC(=N3)C

InChI

InChI=1S/C19H18N4O2S2/c1-3-25-17(24)14-11-15(13-7-5-4-6-8-13)27-16(14)22-19(26)23-18-20-10-9-12(2)21-18/h4-11H,3H2,1-2H3,(H2,20,21,22,23,26)