methyl 5-ethyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(1-methyl-3-phenyl-propyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(4-phenylbutan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(1-methyl-3-phenyl-propyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC(C)CCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(C)CCC2=CC=CC=C2)C(=O)OC

InChI

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