2-phenethylsulfanyl-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-phenethylsulfanyl-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-phenethylsulfanyl-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(phenethylthio)-3-propyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-phenethylsulfanyl-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(phenethylthio)-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC5=CC=CC=C5

InChI

InChI=1S/C28H32N2OS/c1-2-18-30-26(31)24-25(29-27(30)32-19-15-21-11-5-3-6-12-21)23-14-8-7-13-22(23)20-28(24)16-9-4-10-17-28/h3,5-8,11-14H,2,4,9-10,15-20H2,1H3