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

Systemtic Name: 3-cyclopentyl-2-(phenylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-benzylsulfanyl-3-cyclopentyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-cyclopentyl-2-(phenylmethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(benzylthio)-3-cyclopentyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C28H30N2OS MolecularWeight: 442.6156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC6=CC=CC=C6

InChI

InChI=1S/C28H30N2OS/c31-26-24-25(23-15-7-4-12-21(23)18-28(24)16-8-9-17-28)29-27(30(26)22-13-5-6-14-22)32-19-20-10-2-1-3-11-20/h1-4,7,10-12,15,22H,5-6,8-9,13-14,16-19H2