methyl 3-chloranyl-6-(2-methylpropylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(2-methylpropylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(isobutylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(2-methylpropylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(isobutylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C15H17ClN2O2S2 MolecularWeight: 356.89068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O2S2/c1-8(2)7-17-15(21)18-9-4-5-10-11(6-9)22-13(12(10)16)14(19)20-3/h4-6,8H,7H2,1-3H3,(H2,17,18,21)