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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-piperidin-1-ylpropyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-[3-(1-piperidyl)propyl]quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-[3-(1-piperidinyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3-piperidin-1-ylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-(3-piperidinopropyl)quinazolin-4-one Formula: C24H34N4O2S MolecularWeight: 442.61736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCCCC4

InChI

InChI=1S/C24H34N4O2S/c29-22(27-16-8-1-2-9-17-27)19-31-24-25-21-12-5-4-11-20(21)23(30)28(24)18-10-15-26-13-6-3-7-14-26/h4-5,11-12H,1-3,6-10,13-19H2