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

Systemtic Name: methyl 2-[(4-chlorophenyl)methylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chlorophenyl)methylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)methylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24ClN3O3S2 MolecularWeight: 454.00586

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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)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3S2/c1-5-24(6-2)18(25)16-12(3)15(19(26)27-4)17(29-16)23-20(28)22-11-13-7-9-14(21)10-8-13/h7-10H,5-6,11H2,1-4H3,(H2,22,23,28)