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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(naphthalen-1-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(1-naphthylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(naphthalen-1-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(1-naphthylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC3=CC=CC=C32)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC3=CC=CC=C32)C(=O)N(C)C

InChI

InChI=1S/C21H21N3O3S2/c1-12-16(20(26)27-4)18(29-17(12)19(25)24(2)3)23-21(28)22-15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,1-4H3,(H2,22,23,28)