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

Systemtic Name: 3-cyclopentyl-2-(phenylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-benzylsulfanyl-3-cyclopentyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-cyclopentyl-2-(phenylmethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(benzylthio)-3-cyclopentyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C29H32N2OS MolecularWeight: 456.64218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=CC=CC=C5)C6CCCC6

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=CC=CC=C5)C6CCCC6

InChI

InChI=1S/C29H32N2OS/c32-27-25-26(24-16-8-5-13-22(24)19-29(25)17-9-2-10-18-29)30-28(31(27)23-14-6-7-15-23)33-20-21-11-3-1-4-12-21/h1,3-5,8,11-13,16,23H,2,6-7,9-10,14-15,17-20H2