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

Systemtic Name: ethyl 2-[(4-methylpyrimidin-2-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(4-methyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-methylpyrimidin-2-yl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NC=CC(=N3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NC=CC(=N3)C

InChI

InChI=1S/C20H20N4O2S2/c1-3-26-18(25)16-12-15(11-14-7-5-4-6-8-14)28-17(16)23-20(27)24-19-21-10-9-13(2)22-19/h4-10,12H,3,11H2,1-2H3,(H2,21,22,23,24,27)