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

Systemtic Name: 2-hexylsulfanyl-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-hexylsulfanyl-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(hexylthio)-3-(3-methoxyphenyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-hexylsulfanyl-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(hexylthio)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C30H36N2O2S MolecularWeight: 488.68404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C30H36N2O2S/c1-3-4-5-11-19-35-29-31-27-25-16-8-7-13-22(25)21-30(17-9-6-10-18-30)26(27)28(33)32(29)23-14-12-15-24(20-23)34-2/h7-8,12-16,20H,3-6,9-11,17-19,21H2,1-2H3