methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(3,4-dichlorobenzyl)thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H23Cl2N3O3S2 MolecularWeight: 488.45092

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl)C(=O)OC)C

InChI

InChI=1S/C20H23Cl2N3O3S2/c1-5-25(6-2)18(26)16-11(3)15(19(27)28-4)17(30-16)24-20(29)23-10-12-7-8-13(21)14(22)9-12/h7-9H,5-6,10H2,1-4H3,(H2,23,24,29)