methyl 5-(diethylcarbamoyl)-2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(2-ethyl-6-methylphenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC)C

InChI

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