2-(3-butyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(3-butyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(3-butyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]-N-phenethylacetamide IUPAC Name: 2-(3-butyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(3-butyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]-N-phenethyl-acetamide Formula: C31H37N3O2S MolecularWeight: 515.70938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C31H37N3O2S/c1-2-3-20-34-29(36)27-28(25-15-9-8-14-24(25)21-31(27)17-10-5-11-18-31)33-30(34)37-22-26(35)32-19-16-23-12-6-4-7-13-23/h4,6-9,12-15H,2-3,5,10-11,16-22H2,1H3,(H,32,35)