ethyl 2-(2-dimethylaminoethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-dimethylaminoethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(2-dimethylaminoethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(2-dimethylaminoethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(2-dimethylaminoethylthiocarbamoylamino)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)CC2=CC=CC=C2)NC(=S)NCCN(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCN(C)C

InChI

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