ethyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(dimethylamino)propylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H25N3O2S2 MolecularWeight: 391.5507

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCN(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCN(C)C

InChI

InChI=1S/C19H25N3O2S2/c1-4-24-18(23)15-13-16(14-9-6-5-7-10-14)26-17(15)21-19(25)20-11-8-12-22(2)3/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H2,20,21,25)