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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C30H36N2OS/c1-22(2)16-20-34-29-31-27-25-14-8-7-13-24(25)21-30(17-9-4-10-18-30)26(27)28(33)32(29)19-15-23-11-5-3-6-12-23/h3,5-8,11-14,22H,4,9-10,15-21H2,1-2H3