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

Systemtic Name: 2-phenethylsulfanyl-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-phenethylsulfanyl-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(phenethylthio)-3-propyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-phenethylsulfanyl-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(phenethylthio)-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCCC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCCC5=CC=CC=C5

InChI

InChI=1S/C27H30N2OS/c1-2-17-29-25(30)23-24(28-26(29)31-18-14-20-10-4-3-5-11-20)22-13-7-6-12-21(22)19-27(23)15-8-9-16-27/h3-7,10-13H,2,8-9,14-19H2,1H3