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

Systemtic Name: 2-hexylsulfanyl-3-(phenylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-benzyl-2-hexylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(hexylthio)-3-(phenylmethyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-benzyl-2-hexylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-benzyl-2-(hexylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C29H34N2OS MolecularWeight: 458.65806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C29H34N2OS/c1-2-3-4-12-19-33-28-30-26-24-16-9-8-15-23(24)20-29(17-10-11-18-29)25(26)27(32)31(28)21-22-13-6-5-7-14-22/h5-9,13-16H,2-4,10-12,17-21H2,1H3