methyl 5-(butylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: methyl 5-(butylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: methyl 5-(butylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 5-[[butylamino(sulfanylidene)methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(butylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 5-(butylthiocarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C11H16N2O2S2 MolecularWeight: 272.38694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=C(S1)C(=O)OC

Isomeric SMILES

CCCCNC(=S)NC1=CC=C(S1)C(=O)OC

InChI

InChI=1S/C11H16N2O2S2/c1-3-4-7-12-11(16)13-9-6-5-8(17-9)10(14)15-2/h5-6H,3-4,7H2,1-2H3,(H2,12,13,16)