5-ethyl-5-methyl-2-(3-methylbutylsulfanyl)-3-phenethyl-6H-benzo[h]quinazolin-4-one

Systemtic Name: 5-ethyl-5-methyl-2-(3-methylbutylsulfanyl)-3-phenethyl-6H-benzo[h]quinazolin-4-one Openeye Name: 5-ethyl-2-isopentylsulfanyl-5-methyl-3-phenethyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-ethyl-5-methyl-2-(3-methylbutylthio)-3-phenethyl-6H-benzo[h]quinazolin-4-one IUPAC Name: 5-ethyl-5-methyl-2-(3-methylbutylsulfanyl)-3-phenethyl-6H-benzo[h]quinazolin-4-one Traditional Name: 5-ethyl-2-(isoamylthio)-5-methyl-3-phenethyl-6H-benzo[h]quinazolin-4-one Formula: C28H34N2OS MolecularWeight: 446.64736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCCC(C)C)CCC4=CC=CC=C4)C

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCCC(C)C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C28H34N2OS/c1-5-28(4)19-22-13-9-10-14-23(22)25-24(28)26(31)30(17-15-21-11-7-6-8-12-21)27(29-25)32-18-16-20(2)3/h6-14,20H,5,15-19H2,1-4H3