methyl 3-chloranyl-6-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(1-ethyl-3-methyl-4-pyrazolyl)methyl-methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(1-ethyl-3-methylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-thiocarbamoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H21ClN4O2S2 MolecularWeight: 436.97864

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN(C)C(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C)CN(C)C(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C19H21ClN4O2S2/c1-5-24-10-12(11(2)22-24)9-23(3)19(27)21-13-6-7-14-15(8-13)28-17(16(14)20)18(25)26-4/h6-8,10H,5,9H2,1-4H3,(H,21,27)