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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-(3-butyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[(3-butyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]-N,N-diethylacetamide IUPAC Name: 2-(3-butyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N,N-diethylacetamide Traditional Name: 2-[(3-butyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]-N,N-diethyl-acetamide Formula: C27H37N3O2S MolecularWeight: 467.66658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O2S/c1-4-7-17-30-25(32)23-24(28-26(30)33-19-22(31)29(5-2)6-3)21-14-10-9-13-20(21)18-27(23)15-11-8-12-16-27/h9-10,13-14H,4-8,11-12,15-19H2,1-3H3