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

Systemtic Name: 2-phenacylsulfanyl-3-(phenylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-benzyl-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(phenacylthio)-3-(phenylmethyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-benzyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-benzyl-2-(phenacylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C32H30N2O2S MolecularWeight: 506.6578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C32H30N2O2S/c35-27(24-14-6-2-7-15-24)22-37-31-33-29-26-17-9-8-16-25(26)20-32(18-10-3-11-19-32)28(29)30(36)34(31)21-23-12-4-1-5-13-23/h1-2,4-9,12-17H,3,10-11,18-22H2