N,N-dibutyl-2-(4-oxidanylidene-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanyl-ethanamide

Systemtic Name: N,N-dibutyl-2-(4-oxidanylidene-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanyl-N,N-dibutyl-acetamide CAS Name: N,N-dibutyl-2-[(4-oxo-3-prop-2-enyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl)thio]acetamide IUPAC Name: N,N-dibutyl-2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)thio]-N,N-dibutyl-acetamide Formula: C29H39N3O2S MolecularWeight: 493.70386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CSC1=NC2=C(C(=O)N1CC=C)C3(CCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCCCN(CCCC)C(=O)CSC1=NC2=C(C(=O)N1CC=C)C3(CCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C29H39N3O2S/c1-4-7-18-31(19-8-5-2)24(33)21-35-28-30-26-23-14-10-9-13-22(23)20-29(15-11-12-16-29)25(26)27(34)32(28)17-6-3/h6,9-10,13-14H,3-5,7-8,11-12,15-21H2,1-2H3