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

Systemtic Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[(1-morpholinocyclohexyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[1-(4-morpholinyl)cyclohexyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[(1-morpholinocyclohexyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3S/c1-2-10-27-21(29)18-7-6-17(15-19(18)25-22(27)31)20(28)24-16-23(8-4-3-5-9-23)26-11-13-30-14-12-26/h2,6-7,15H,1,3-5,8-14,16H2,(H,24,28)(H,25,31)