3-(furan-2-ylmethyl)-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(furan-2-ylmethyl)-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2-furylmethyl)-2-[(3S)-2-oxoazepan-3-yl]sulfanyl-quinazolin-4-one CAS Name: 3-(2-furanylmethyl)-2-[[(3S)-2-oxo-3-azepanyl]thio]-4-quinazolinone IUPAC Name: 3-(furan-2-ylmethyl)-2-[(3S)-2-oxoazepan-3-yl]sulfanylquinazolin-4-one Traditional Name: 3-(2-furfuryl)-2-[[(3S)-2-ketoazepan-3-yl]thio]quinazolin-4-one Formula: C19H19N3O3S MolecularWeight: 369.43746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C19H19N3O3S/c23-17-16(9-3-4-10-20-17)26-19-21-15-8-2-1-7-14(15)18(24)22(19)12-13-6-5-11-25-13/h1-2,5-8,11,16H,3-4,9-10,12H2,(H,20,23)/t16-/m0/s1