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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[2-(methylthio)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[2-(methylthio)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O3S3 MolecularWeight: 451.6258

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2SC)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2SC)C(=O)OC)C

InChI

InChI=1S/C20H25N3O3S3/c1-6-23(7-2)18(24)16-12(3)15(19(25)26-4)17(29-16)22-20(27)21-13-10-8-9-11-14(13)28-5/h8-11H,6-7H2,1-5H3,(H2,21,22,27)