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

Systemtic Name: methyl 2-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-chloro-4-methyl-phenyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-4-methylphenyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(3-chloro-4-methyl-phenyl)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)NC2=CC(=C(C=C2)C)Cl)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC(=C(C=C2)C)Cl)C(=O)OC)C

InChI

InChI=1S/C20H24ClN3O3S2/c1-6-24(7-2)18(25)16-12(4)15(19(26)27-5)17(29-16)23-20(28)22-13-9-8-11(3)14(21)10-13/h8-10H,6-7H2,1-5H3,(H2,22,23,28)