N-(3-morpholin-4-ylpropyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Openeye Name: N-(3-morpholinopropyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide CAS Name: N-[3-(4-morpholinyl)propyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Traditional Name: N-(3-morpholinopropyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide Formula: C23H33N5O2S MolecularWeight: 443.60542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)NCCCN4CCOCC4

Isomeric SMILES

C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C23H33N5O2S/c29-22(24-10-3-11-28-12-14-30-15-13-28)18-8-6-17(7-9-18)16-25-21-19-4-1-2-5-20(19)26-23(31)27-21/h1-2,4-5,17-18H,3,6-16H2,(H,24,29)(H2,25,26,27,31)