ethyl 2-(2-methylpropylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-methylpropylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(isobutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(2-methylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(isobutylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC(C)C

InChI

InChI=1S/C19H24N2O2S2/c1-4-23-18(22)16-11-15(10-14-8-6-5-7-9-14)25-17(16)21-19(24)20-12-13(2)3/h5-9,11,13H,4,10,12H2,1-3H3,(H2,20,21,24)