3-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-N-[(1-morpholinocyclohexyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-[[1-(4-morpholinyl)cyclohexyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-[(1-morpholinocyclohexyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3(CCCCC3)N4CCOCC4)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3(CCCCC3)N4CCOCC4)NC1=S

InChI

InChI=1S/C22H30N4O3S/c1-2-26-20(28)17-7-6-16(14-18(17)24-21(26)30)19(27)23-15-22(8-4-3-5-9-22)25-10-12-29-13-11-25/h6-7,14H,2-5,8-13,15H2,1H3,(H,23,27)(H,24,30)