N-(3-ethyl-2-morpholin-4-yl-pentyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: N-(3-ethyl-2-morpholin-4-yl-pentyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: N-(3-ethyl-2-morpholino-pentyl)-3-(4-fluorophenyl)-2-thioxo-1H-imidazole-4-carboxamide CAS Name: N-[3-ethyl-2-(4-morpholinyl)pentyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: N-(3-ethyl-2-morpholino-pentyl)-3-(4-fluorophenyl)-2-thioxo-4-imidazoline-4-carboxamide Formula: C21H29FN4O2S MolecularWeight: 420.543963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)C1=CNC(=S)N1C2=CC=C(C=C2)F)N3CCOCC3

Isomeric SMILES

CCC(CC)C(CNC(=O)C1=CNC(=S)N1C2=CC=C(C=C2)F)N3CCOCC3

InChI

InChI=1S/C21H29FN4O2S/c1-3-15(4-2)18(25-9-11-28-12-10-25)13-23-20(27)19-14-24-21(29)26(19)17-7-5-16(22)6-8-17/h5-8,14-15,18H,3-4,9-13H2,1-2H3,(H,23,27)(H,24,29)