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

Systemtic Name: 2-hexylsulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-hexylsulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(hexylthio)-3-phenethyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-hexylsulfanyl-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(hexylthio)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C30H36N2OS MolecularWeight: 472.68464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C30H36N2OS/c1-2-3-4-12-21-34-29-31-27-25-16-9-8-15-24(25)22-30(18-10-11-19-30)26(27)28(33)32(29)20-17-23-13-6-5-7-14-23/h5-9,13-16H,2-4,10-12,17-22H2,1H3