methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-(1,2,2-trimethylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(3,3-dimethylbutan-2-ylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(1,2,2-trimethylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC(C)C(C)(C)C)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC(C)C(C)(C)C)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C20H26N2O2S2/c1-12-15(14-10-8-7-9-11-14)16(18(23)24-6)17(26-12)22-19(25)21-13(2)20(3,4)5/h7-11,13H,1-6H3,(H2,21,22,25)