methyl 3-(butylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: methyl 3-(butylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: methyl 3-(butylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 3-[[butylamino(sulfanylidene)methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(butylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 3-(butylthiocarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C11H16N2O2S2 MolecularWeight: 272.38694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=C(SC=C1)C(=O)OC

Isomeric SMILES

CCCCNC(=S)NC1=C(SC=C1)C(=O)OC

InChI

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