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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(3-ethanoylphenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-acetylphenyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3-acetylanilino)-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-acetylphenyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(3-acetylphenyl)thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S2/c1-6-24(7-2)19(26)17-12(3)16(20(27)28-5)18(30-17)23-21(29)22-15-10-8-9-14(11-15)13(4)25/h8-11H,6-7H2,1-5H3,(H2,22,23,29)