2-[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]thio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[[(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl]thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C26H32N3O3S+ MolecularWeight: 466.61558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4)C

InChI

InChI=1S/C26H31N3O3S/c1-18-9-10-21(17-19(18)2)24(30)20(3)33-26-27-23-8-5-4-7-22(23)25(31)29(26)12-6-11-28-13-15-32-16-14-28/h4-5,7-10,17,20H,6,11-16H2,1-3H3/p+1/t20-/m0/s1