3-butyl-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 3-butyl-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-butyl-2-isopropylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-butyl-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-butyl-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-butyl-2-(isopropylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C23H30N2OS MolecularWeight: 382.5621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SC(C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SC(C)C

InChI

InChI=1S/C23H30N2OS/c1-4-5-14-25-21(26)19-20(24-22(25)27-16(2)3)18-11-7-6-10-17(18)15-23(19)12-8-9-13-23/h6-7,10-11,16H,4-5,8-9,12-15H2,1-3H3