2-(phenylmethylsulfanyl)-4-piperidin-1-yl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]

Systemtic Name: 2-(phenylmethylsulfanyl)-4-piperidin-1-yl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Openeye Name: 2-benzylsulfanyl-4-(1-piperidyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] CAS Name: 2-(phenylmethylthio)-4-(1-piperidinyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] IUPAC Name: 2-benzylsulfanyl-4-piperidin-1-ylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Traditional Name: 2-(benzylthio)-4-piperidino-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Formula: C29H33N3S MolecularWeight: 455.65742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCC5=CC=CC=C5)N6CCCCC6

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCC5=CC=CC=C5)N6CCCCC6

InChI

InChI=1S/C29H33N3S/c1-4-12-22(13-5-1)21-33-28-30-26-24-15-7-6-14-23(24)20-29(16-8-2-9-17-29)25(26)27(31-28)32-18-10-3-11-19-32/h1,4-7,12-15H,2-3,8-11,16-21H2