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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(naphthalen-1-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1-naphthylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(naphthalen-1-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(1-naphthylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC3=CC=CC=C32)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC3=CC=CC=C32)C(=O)OC)C

InChI

InChI=1S/C23H25N3O3S2/c1-5-26(6-2)21(27)19-14(3)18(22(28)29-4)20(31-19)25-23(30)24-17-13-9-11-15-10-7-8-12-16(15)17/h7-13H,5-6H2,1-4H3,(H2,24,25,30)