methyl 3-chloranyl-6-[(4-methylpyrimidin-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-methylpyrimidin-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-methylpyrimidin-2-yl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(4-methyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-methylpyrimidin-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-methylpyrimidin-2-yl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H13ClN4O2S2 MolecularWeight: 392.88302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=NC(=NC=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C16H13ClN4O2S2/c1-8-5-6-18-15(19-8)21-16(24)20-9-3-4-10-11(7-9)25-13(12(10)17)14(22)23-2/h3-7H,1-2H3,(H2,18,19,20,21,24)