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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(3-phenylpropylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(3-phenylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCC2=CC=CC=C2)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCC2=CC=CC=C2)C(=O)N(C)C

InChI

InChI=1S/C20H25N3O3S2/c1-13-15(19(25)26-4)17(28-16(13)18(24)23(2)3)22-20(27)21-12-8-11-14-9-6-5-7-10-14/h5-7,9-10H,8,11-12H2,1-4H3,(H2,21,22,27)