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

Systemtic Name: methyl 4-ethyl-5-methyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(1-methyl-3-phenyl-propyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[(4-phenylbutan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(1-methyl-3-phenyl-propyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)CCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)CCC2=CC=CC=C2)C

InChI

InChI=1S/C20H26N2O2S2/c1-5-16-14(3)26-18(17(16)19(23)24-4)22-20(25)21-13(2)11-12-15-9-7-6-8-10-15/h6-10,13H,5,11-12H2,1-4H3,(H2,21,22,25)