2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one CAS Name: 2-[[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-3-(3,5-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-3-(3,5-dimethylphenyl)quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)N4CCCCCC4)C

InChI

InChI=1S/C25H29N3O2S/c1-17-14-18(2)16-20(15-17)28-24(30)21-10-6-7-11-22(21)26-25(28)31-19(3)23(29)27-12-8-4-5-9-13-27/h6-7,10-11,14-16,19H,4-5,8-9,12-13H2,1-3H3/t19-/m0/s1