ethyl 2-(morpholin-4-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(morpholin-4-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(morpholinocarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(4-morpholinylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(morpholin-4-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(morpholinothiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NN3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NN3CCOCC3

InChI

InChI=1S/C19H23N3O3S2/c1-2-25-18(23)16-13-15(12-14-6-4-3-5-7-14)27-17(16)20-19(26)21-22-8-10-24-11-9-22/h3-7,13H,2,8-12H2,1H3,(H2,20,21,26)