methyl 3-chloranyl-6-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(1,1,3,3-tetramethylbutylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[sulfanylidene-(2,4,4-trimethylpentan-2-ylamino)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(1,1,3,3-tetramethylbutylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C19H25ClN2O2S2 MolecularWeight: 412.997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN2O2S2/c1-18(2,3)10-19(4,5)22-17(25)21-11-7-8-12-13(9-11)26-15(14(12)20)16(23)24-6/h7-9H,10H2,1-6H3,(H2,21,22,25)