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

Systemtic Name: 2-(3-methylbutylsulfanyl)-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-isopentylsulfanyl-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(3-methylbutylthio)-3-propyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-(3-methylbutylsulfanyl)-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(isoamylthio)-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC(C)C

Isomeric SMILES

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC(C)C

InChI

InChI=1S/C25H34N2OS/c1-4-15-27-23(28)21-22(26-24(27)29-16-12-18(2)3)20-11-7-6-10-19(20)17-25(21)13-8-5-9-14-25/h6-7,10-11,18H,4-5,8-9,12-17H2,1-3H3