methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2,4,6-trimethylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2,4,6-trimethylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2,4,6-trimethylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[sulfanylidene-(2,4,6-trimethylanilino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2,4,6-trimethylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(mesitylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2C)C)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2C)C)C)C(=O)OC)C

InChI

InChI=1S/C22H29N3O3S2/c1-8-25(9-2)20(26)18-15(6)16(21(27)28-7)19(30-18)24-22(29)23-17-13(4)10-12(3)11-14(17)5/h10-11H,8-9H2,1-7H3,(H2,23,24,29)