2-butylsulfanyl-3-cyclopentyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 2-butylsulfanyl-3-cyclopentyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-butylsulfanyl-3-cyclopentyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(butylthio)-3-cyclopentyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-butylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(butylthio)-3-cyclopentyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C25H32N2OS MolecularWeight: 408.59938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C3CCCC3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3CCCC3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C25H32N2OS/c1-2-3-16-29-24-26-22-20-13-7-4-10-18(20)17-25(14-8-9-15-25)21(22)23(28)27(24)19-11-5-6-12-19/h4,7,10,13,19H,2-3,5-6,8-9,11-12,14-17H2,1H3