3-(4-butylphenyl)-2-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-butylphenyl)-2-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfanyl-quinazolin-4-one Openeye Name: 3-(4-butylphenyl)-2-(1-methyl-2-morpholino-2-oxo-ethyl)sulfanyl-quinazolin-4-one CAS Name: 3-(4-butylphenyl)-2-[[1-(4-morpholinyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-(4-butylphenyl)-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylquinazolin-4-one Traditional Name: 3-(4-butylphenyl)-2-[(2-keto-1-methyl-2-morpholino-ethyl)thio]quinazolin-4-one Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCOCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCOCC4

InChI

InChI=1S/C25H29N3O3S/c1-3-4-7-19-10-12-20(13-11-19)28-24(30)21-8-5-6-9-22(21)26-25(28)32-18(2)23(29)27-14-16-31-17-15-27/h5-6,8-13,18H,3-4,7,14-17H2,1-2H3