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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1-methyl-3-phenyl-propyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(4-phenylbutan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(1-methyl-3-phenyl-propyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC(C)CCC2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC(C)CCC2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C23H31N3O3S2/c1-6-26(7-2)21(27)19-16(4)18(22(28)29-5)20(31-19)25-23(30)24-15(3)13-14-17-11-9-8-10-12-17/h8-12,15H,6-7,13-14H2,1-5H3,(H2,24,25,30)