methyl 5-(dimethylcarbamoyl)-4-methyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(4-phenylbutylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(4-phenylbutylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCCC2=CC=CC=C2)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCCC2=CC=CC=C2)C(=O)N(C)C

InChI

InChI=1S/C21H27N3O3S2/c1-14-16(20(26)27-4)18(29-17(14)19(25)24(2)3)23-21(28)22-13-9-8-12-15-10-6-5-7-11-15/h5-7,10-11H,8-9,12-13H2,1-4H3,(H2,22,23,28)