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

Systemtic Name: methyl 3-chloranyl-6-(3,3-dimethylbutan-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(1,2,2-trimethylpropylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3,3-dimethylbutan-2-ylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(3,3-dimethylbutan-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(1,2,2-trimethylpropylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C17H21ClN2O2S2 MolecularWeight: 384.94384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O2S2/c1-9(17(2,3)4)19-16(23)20-10-6-7-11-12(8-10)24-14(13(11)18)15(21)22-5/h6-9H,1-5H3,(H2,19,20,23)