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

Systemtic Name: 2-butylsulfanyl-3-(phenylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-benzyl-2-butylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(butylthio)-3-(phenylmethyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-benzyl-2-butylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-benzyl-2-(butylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C27H30N2OS MolecularWeight: 430.6049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H30N2OS/c1-2-3-17-31-26-28-24-22-14-8-7-13-21(22)18-27(15-9-10-16-27)23(24)25(30)29(26)19-20-11-5-4-6-12-20/h4-8,11-14H,2-3,9-10,15-19H2,1H3