(5S)-5-cyclohexyl-5-methyl-2-[(E,5R)-5-phenylhex-2-enyl]sulfanyl-1,6-dihydrobenzo[h]quinazolin-4-one

Systemtic Name: (5S)-5-cyclohexyl-5-methyl-2-[(E,5R)-5-phenylhex-2-enyl]sulfanyl-1,6-dihydrobenzo[h]quinazolin-4-one Openeye Name: (5S)-5-cyclohexyl-5-methyl-2-[(E,5R)-5-phenylhex-2-enyl]sulfanyl-1,6-dihydrobenzo[h]quinazolin-4-one CAS Name: (5S)-5-cyclohexyl-5-methyl-2-[[(E,5R)-5-phenylhex-2-enyl]thio]-1,6-dihydrobenzo[h]quinazolin-4-one IUPAC Name: (5S)-5-cyclohexyl-5-methyl-2-[(E,5R)-5-phenylhex-2-enyl]sulfanyl-1,6-dihydrobenzo[h]quinazolin-4-one Traditional Name: (5S)-5-cyclohexyl-5-methyl-2-[[(E,5R)-5-phenylhex-2-enyl]thio]-1,6-dihydrobenzo[h]quinazolin-4-one Formula: C31H36N2OS MolecularWeight: 484.69534

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CCSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC2(C)C4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

C[C@H](C/C=C/CSC1=NC(=O)C2=C(N1)C3=CC=CC=C3C[C@@]2(C)C4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C31H36N2OS/c1-22(23-14-5-3-6-15-23)13-11-12-20-35-30-32-28-26-19-10-9-16-24(26)21-31(2,27(28)29(34)33-30)25-17-7-4-8-18-25/h3,5-6,9-12,14-16,19,22,25H,4,7-8,13,17-18,20-21H2,1-2H3,(H,32,33,34)/b12-11+/t22-,31+/m1/s1