5-cyclohexyl-5-ethyl-2-(phenylmethylsulfanyl)-1,6-dihydrobenzo[h]quinazolin-4-one

Systemtic Name: 5-cyclohexyl-5-ethyl-2-(phenylmethylsulfanyl)-1,6-dihydrobenzo[h]quinazolin-4-one Openeye Name: 2-benzylsulfanyl-5-cyclohexyl-5-ethyl-1,6-dihydrobenzo[h]quinazolin-4-one CAS Name: 5-cyclohexyl-5-ethyl-2-(phenylmethylthio)-1,6-dihydrobenzo[h]quinazolin-4-one IUPAC Name: 2-benzylsulfanyl-5-cyclohexyl-5-ethyl-1,6-dihydrobenzo[h]quinazolin-4-one Traditional Name: 2-(benzylthio)-5-cyclohexyl-5-ethyl-1,6-dihydrobenzo[h]quinazolin-4-one Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C27H30N2OS/c1-2-27(21-14-7-4-8-15-21)17-20-13-9-10-16-22(20)24-23(27)25(30)29-26(28-24)31-18-19-11-5-3-6-12-19/h3,5-6,9-13,16,21H,2,4,7-8,14-15,17-18H2,1H3,(H,28,29,30)