methyl 3-chloranyl-6-(2-methylbutan-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(2-methylbutan-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(1,1-dimethylpropylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2-methylbutan-2-ylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(2-methylbutan-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 6-(tert-amylthiocarbamoylamino)-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H19ClN2O2S2 MolecularWeight: 370.91726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

Isomeric SMILES

CCC(C)(C)NC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

InChI

InChI=1S/C16H19ClN2O2S2/c1-5-16(2,3)19-15(22)18-9-6-7-10-11(8-9)23-13(12(10)17)14(20)21-4/h6-8H,5H2,1-4H3,(H2,18,19,22)