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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCCC2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCCC2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C22H29N3O3S2/c1-5-25(6-2)20(26)18-15(3)17(21(27)28-4)19(30-18)24-22(29)23-14-10-13-16-11-8-7-9-12-16/h7-9,11-12H,5-6,10,13-14H2,1-4H3,(H2,23,24,29)