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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5

InChI

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