3-(4-butylphenyl)-2-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-butylphenyl)-2-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(4-butylphenyl)-2-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(4-butylphenyl)-2-[[2-[(2S)-2-methyl-4-morpholinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-butylphenyl)-2-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(4-butylphenyl)-2-[[2-keto-2-[(2S)-2-methylmorpholino]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=C2SCC(=O)N4CCOC(C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCO[C@H](C4)C

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)32-17-23(29)27-14-15-31-18(2)16-27/h5-6,8-13,18H,3-4,7,14-17H2,1-2H3/t18-/m0/s1