2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one CAS Name: 2-[[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-3-(3-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-3-(3-methoxyphenyl)quinazolin-4-one Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

InChI

InChI=1S/C24H27N3O3S/c1-17(22(28)26-14-7-3-4-8-15-26)31-24-25-21-13-6-5-12-20(21)23(29)27(24)18-10-9-11-19(16-18)30-2/h5-6,9-13,16-17H,3-4,7-8,14-15H2,1-2H3/t17-/m1/s1