3-(cyclohexylmethyl)-2-(phenylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 3-(cyclohexylmethyl)-2-(phenylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-benzylsulfanyl-3-(cyclohexylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(cyclohexylmethyl)-2-(phenylmethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-benzylsulfanyl-3-(cyclohexylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(benzylthio)-3-(cyclohexylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C30H34N2OS MolecularWeight: 470.66876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC6=CC=CC=C6

InChI

InChI=1S/C30H34N2OS/c33-28-26-27(25-16-8-7-15-24(25)19-30(26)17-9-10-18-30)31-29(34-21-23-13-5-2-6-14-23)32(28)20-22-11-3-1-4-12-22/h2,5-8,13-16,22H,1,3-4,9-12,17-21H2