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

Systemtic Name: 3-phenethyl-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-phenethyl-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-phenethyl-2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-phenethyl-2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-phenethyl-2-(phenethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C33H34N2OS MolecularWeight: 506.70086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCC5=CC=CC=C5)CCC6=CC=CC=C6

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCC5=CC=CC=C5)CCC6=CC=CC=C6

InChI

InChI=1S/C33H34N2OS/c36-31-29-30(28-17-9-8-16-27(28)24-33(29)20-10-3-11-21-33)34-32(37-23-19-26-14-6-2-7-15-26)35(31)22-18-25-12-4-1-5-13-25/h1-2,4-9,12-17H,3,10-11,18-24H2