methyl 3-(cyclopropylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(cyclopropylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(cyclopropylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(cyclopropylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-(cyclopropylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C14H14N2O2S2 MolecularWeight: 306.40316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NC3CC3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NC3CC3

InChI

InChI=1S/C14H14N2O2S2/c1-18-13(17)12-11(16-14(19)15-8-6-7-8)9-4-2-3-5-10(9)20-12/h2-5,8H,6-7H2,1H3,(H2,15,16,19)