methyl 5-(diethylcarbamoyl)-4-methyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(1-phenylpropylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(1-phenylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=S)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=S)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC

InChI

InChI=1S/C22H29N3O3S2/c1-6-16(15-12-10-9-11-13-15)23-22(29)24-19-17(21(27)28-5)14(4)18(30-19)20(26)25(7-2)8-3/h9-13,16H,6-8H2,1-5H3,(H2,23,24,29)