3-hexyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-hexyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one Openeye Name: 3-hexyl-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-4-one CAS Name: 3-hexyl-2-[(2-oxo-3-azepanyl)thio]-4-quinazolinone IUPAC Name: 3-hexyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one Traditional Name: 3-hexyl-2-[(2-ketoazepan-3-yl)thio]quinazolin-4-one Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC3CCCCNC3=O

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC3CCCCNC3=O

InChI

InChI=1S/C20H27N3O2S/c1-2-3-4-9-14-23-19(25)15-10-5-6-11-16(15)22-20(23)26-17-12-7-8-13-21-18(17)24/h5-6,10-11,17H,2-4,7-9,12-14H2,1H3,(H,21,24)