2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)quinazolin-4-one Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4

InChI

InChI=1S/C25H27N3O4S/c29-23(27-13-7-1-2-8-14-27)17-33-25-26-20-10-4-3-9-19(20)24(30)28(25)15-18-16-31-21-11-5-6-12-22(21)32-18/h3-6,9-12,18H,1-2,7-8,13-17H2