(5S)-5-cyclohexyl-3-(phenylmethyl)-2-prop-2-enylsulfanyl-5,6-dihydrobenzo[h]quinazolin-4-one

Systemtic Name: (5S)-5-cyclohexyl-3-(phenylmethyl)-2-prop-2-enylsulfanyl-5,6-dihydrobenzo[h]quinazolin-4-one Openeye Name: (5S)-2-allylsulfanyl-3-benzyl-5-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-4-one CAS Name: (5S)-5-cyclohexyl-3-(phenylmethyl)-2-(prop-2-enylthio)-5,6-dihydrobenzo[h]quinazolin-4-one IUPAC Name: (5S)-3-benzyl-5-cyclohexyl-2-prop-2-enylsulfanyl-5,6-dihydrobenzo[h]quinazolin-4-one Traditional Name: (5S)-2-(allylthio)-3-benzyl-5-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-4-one Formula: C28H30N2OS MolecularWeight: 442.6156

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(C(CC3=CC=CC=C32)C4CCCCC4)C(=O)N1CC5=CC=CC=C5

Isomeric SMILES

C=CCSC1=NC2=C([C@@H](CC3=CC=CC=C32)C4CCCCC4)C(=O)N1CC5=CC=CC=C5

InChI

InChI=1S/C28H30N2OS/c1-2-17-32-28-29-26-23-16-10-9-15-22(23)18-24(21-13-7-4-8-14-21)25(26)27(31)30(28)19-20-11-5-3-6-12-20/h2-3,5-6,9-12,15-16,21,24H,1,4,7-8,13-14,17-19H2/t24-/m0/s1