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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3,3-diethoxypropyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(3,3-diethoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(3,3-diethoxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3,3-diethoxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-(3,3-diethoxypropyl)quinazolin-4-one Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCCC3)OCC

Isomeric SMILES

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCCC3)OCC

InChI

InChI=1S/C23H33N3O4S/c1-3-29-21(30-4-2)13-16-26-22(28)18-11-7-8-12-19(18)24-23(26)31-17-20(27)25-14-9-5-6-10-15-25/h7-8,11-12,21H,3-6,9-10,13-17H2,1-2H3