3-phenethyl-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 3-phenethyl-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-phenethyl-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-phenethyl-2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-phenethyl-2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-phenethyl-2-(phenethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C32H32N2OS MolecularWeight: 492.67428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCC5=CC=CC=C5)CCC6=CC=CC=C6

Isomeric SMILES

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCC5=CC=CC=C5)CCC6=CC=CC=C6

InChI

InChI=1S/C32H32N2OS/c35-30-28-29(27-16-8-7-15-26(27)23-32(28)19-9-10-20-32)33-31(36-22-18-25-13-5-2-6-14-25)34(30)21-17-24-11-3-1-4-12-24/h1-8,11-16H,9-10,17-23H2