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

Systemtic Name: 2-(phenylmethylsulfanyl)-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-benzylsulfanyl-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(phenylmethylthio)-3-propyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-benzylsulfanyl-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(benzylthio)-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC5=CC=CC=C5

InChI

InChI=1S/C26H28N2OS/c1-2-16-28-24(29)22-23(27-25(28)30-18-19-10-4-3-5-11-19)21-13-7-6-12-20(21)17-26(22)14-8-9-15-26/h3-7,10-13H,2,8-9,14-18H2,1H3