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

Systemtic Name: 2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-3-(2-methoxyethyl)quinazolin-4-one Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCOC

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCOC

InChI

InChI=1S/C20H27N3O3S/c1-15(18(24)22-11-7-3-4-8-12-22)27-20-21-17-10-6-5-9-16(17)19(25)23(20)13-14-26-2/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3/t15-/m1/s1