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

Systemtic Name: methyl 2-[(4-methylpyrimidin-2-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=NC(=NC=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H18N4O2S2/c1-12-8-9-20-18(21-12)23-19(26)22-16-15(17(24)25-2)11-14(27-16)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H2,20,21,22,23,26)