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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-[(3,4-dimethoxyphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-veratryl-quinazolin-4-one Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4)OC

InChI

InChI=1S/C25H29N3O4S/c1-31-21-12-11-18(15-22(21)32-2)16-28-24(30)19-9-5-6-10-20(19)26-25(28)33-17-23(29)27-13-7-3-4-8-14-27/h5-6,9-12,15H,3-4,7-8,13-14,16-17H2,1-2H3