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

Systemtic Name: methyl 2-[(4-methylpyrimidin-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-[(4-methylpyrimidin-2-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-methylpyrimidin-2-yl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H16N4O2S2 MolecularWeight: 384.47524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O2S2/c1-11-8-9-19-17(20-11)22-18(25)21-15-13(16(23)24-2)10-14(26-15)12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,19,20,21,22,25)