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

Systemtic Name: methyl 3-chloranyl-6-[(1,3-dimethylpyrazol-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1,3-dimethylpyrazol-4-yl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(1,3-dimethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1,3-dimethylpyrazol-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1,3-dimethylpyrazol-4-yl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H15ClN4O2S2 MolecularWeight: 394.8989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

Isomeric SMILES

CC1=NN(C=C1NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

InChI

InChI=1S/C16H15ClN4O2S2/c1-8-11(7-21(2)20-8)19-16(24)18-9-4-5-10-12(6-9)25-14(13(10)17)15(22)23-3/h4-7H,1-3H3,(H2,18,19,24)