methyl 2-[(2-butan-2-ylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-butan-2-ylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(2-sec-butylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2-butan-2-ylanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-butan-2-ylphenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(2-sec-butylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2C(C)CC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2C(C)CC)C(=O)OC

InChI

InChI=1S/C19H24N2O2S2/c1-5-12(3)14-9-7-8-10-16(14)20-19(24)21-17-15(18(22)23-4)11-13(6-2)25-17/h7-12H,5-6H2,1-4H3,(H2,20,21,24)