methyl 2-(3-morpholin-4-ylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3-morpholin-4-ylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3-morpholinopropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-morpholin-4-ylpropylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(3-morpholinopropylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S2/c1-25-19(24)16-14-17(15-6-3-2-4-7-15)28-18(16)22-20(27)21-8-5-9-23-10-12-26-13-11-23/h2-4,6-7,14H,5,8-13H2,1H3,(H2,21,22,27)