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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-[2-(1-cyclohexenyl)ethyl]-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4

InChI

InChI=1S/C24H31N3O2S/c28-22(26-15-8-1-2-9-16-26)18-30-24-25-21-13-7-6-12-20(21)23(29)27(24)17-14-19-10-4-3-5-11-19/h6-7,10,12-13H,1-5,8-9,11,14-18H2