methyl 5-(dimethylcarbamoyl)-2-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[[1-(2,4-dimethylphenyl)ethylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[1-(2,4-dimethylphenyl)ethylthiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC)C

InChI

InChI=1S/C21H27N3O3S2/c1-11-8-9-15(12(2)10-11)14(4)22-21(28)23-18-16(20(26)27-7)13(3)17(29-18)19(25)24(5)6/h8-10,14H,1-7H3,(H2,22,23,28)