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

Systemtic Name: N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-methyl-N-[(4-morpholinophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-methyl-N-[[4-(4-morpholinyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-methyl-N-(4-morpholinobenzyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C21H22N4O3S/c1-24(13-14-2-5-16(6-3-14)25-8-10-28-11-9-25)20(27)15-4-7-17-18(12-15)22-21(29)23-19(17)26/h2-7,12H,8-11,13H2,1H3,(H2,22,23,26,29)