2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-7-chloranyl-3-(furan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-7-chloranyl-3-(furan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-7-chloro-3-(2-furylmethyl)quinazolin-4-one CAS Name: 2-[[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-7-chloro-3-(2-furanylmethyl)-4-quinazolinone IUPAC Name: 2-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-7-chloro-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-7-chloro-3-(2-furfuryl)quinazolin-4-one Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C22H24ClN3O3S/c1-15(20(27)25-10-4-2-3-5-11-25)30-22-24-19-13-16(23)8-9-18(19)21(28)26(22)14-17-7-6-12-29-17/h6-9,12-13,15H,2-5,10-11,14H2,1H3/t15-/m0/s1