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

Systemtic Name: 2-(phenylmethylsulfanyl)-4-piperidin-1-yl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] Openeye Name: 2-benzylsulfanyl-4-(1-piperidyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] CAS Name: 2-(phenylmethylthio)-4-(1-piperidinyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] IUPAC Name: 2-benzylsulfanyl-4-piperidin-1-ylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] Traditional Name: 2-(benzylthio)-4-piperidino-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] Formula: C28H31N3S MolecularWeight: 441.63084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=C2C4(CCCC4)CC5=CC=CC=C53)SCC6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=C2C4(CCCC4)CC5=CC=CC=C53)SCC6=CC=CC=C6

InChI

InChI=1S/C28H31N3S/c1-3-11-21(12-4-1)20-32-27-29-25-23-14-6-5-13-22(23)19-28(15-7-8-16-28)24(25)26(30-27)31-17-9-2-10-18-31/h1,3-6,11-14H,2,7-10,15-20H2