2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-3-cyclohexyl-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-cyclohexyl-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C27H30ClN3O2S MolecularWeight: 496.064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H30ClN3O2S/c28-21-9-7-8-19(16-21)18-34-27-29-24-17-20(25(32)30-14-5-2-6-15-30)12-13-23(24)26(33)31(27)22-10-3-1-4-11-22/h7-9,12-13,16-17,22H,1-6,10-11,14-15,18H2