7-chloranyl-3-cyclohexyl-2-phenacylsulfanyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-cyclohexyl-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 7-chloro-3-cyclohexyl-2-phenacylsulfanyl-quinazolin-4-one CAS Name: 7-chloro-3-cyclohexyl-2-(phenacylthio)-4-quinazolinone IUPAC Name: 7-chloro-3-cyclohexyl-2-phenacylsulfanylquinazolin-4-one Traditional Name: 7-chloro-3-cyclohexyl-2-(phenacylthio)quinazolin-4-one Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O2S/c23-16-11-12-18-19(13-16)24-22(25(21(18)27)17-9-5-2-6-10-17)28-14-20(26)15-7-3-1-4-8-15/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2