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

Systemtic Name: ethyl 2-(3-morpholin-4-ylpropylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(3-morpholinopropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(3-morpholin-4-ylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(3-morpholinopropylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCCN3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCCN3CCOCC3

InChI

InChI=1S/C22H29N3O3S2/c1-2-28-21(26)19-16-18(15-17-7-4-3-5-8-17)30-20(19)24-22(29)23-9-6-10-25-11-13-27-14-12-25/h3-5,7-8,16H,2,6,9-15H2,1H3,(H2,23,24,29)