methyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(diisobutylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[bis(2-methylpropyl)amino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(diisobutylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H35N3O3S2 MolecularWeight: 441.6509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O3S2/c1-9-23(10-2)19(25)17-15(7)16(20(26)27-8)18(29-17)22-21(28)24(11-13(3)4)12-14(5)6/h13-14H,9-12H2,1-8H3,(H,22,28)