methyl 6-(tert-butylcarbamothioylamino)-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-(tert-butylcarbamothioylamino)-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-(tert-butylcarbamothioylamino)-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[(tert-butylamino)-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-(tert-butylcarbamothioylamino)-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-(tert-butylthiocarbamoylamino)-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C15H17ClN2O2S2 MolecularWeight: 356.89068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O2S2/c1-15(2,3)18-14(21)17-8-5-6-9-10(7-8)22-12(11(9)16)13(19)20-4/h5-7H,1-4H3,(H2,17,18,21)