2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-propan-2-yl-quinazolin-4-one

Systemtic Name: 2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-propan-2-yl-quinazolin-4-one Openeye Name: 2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-isopropyl-quinazolin-4-one CAS Name: 2-[[2-(1-azocanyl)-2-oxoethyl]thio]-7-chloro-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-7-chloro-3-propan-2-ylquinazolin-4-one Traditional Name: 2-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-7-chloro-3-isopropyl-quinazolin-4-one Formula: C20H26ClN3O2S MolecularWeight: 407.95734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCCCCCC3

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCCCCCC3

InChI

InChI=1S/C20H26ClN3O2S/c1-14(2)24-19(26)16-9-8-15(21)12-17(16)22-20(24)27-13-18(25)23-10-6-4-3-5-7-11-23/h8-9,12,14H,3-7,10-11,13H2,1-2H3