2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[[2-(1-azocanyl)-2-oxoethyl]thio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C20H27N3O3S/c24-14-8-13-23-19(26)16-9-4-5-10-17(16)21-20(23)27-15-18(25)22-11-6-2-1-3-7-12-22/h4-5,9-10,24H,1-3,6-8,11-15H2