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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N,N-diphenyl-ethanamide Openeye Name: 2-(3-butyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N,N-diphenyl-acetamide CAS Name: 2-[(3-butyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]-N,N-diphenylacetamide IUPAC Name: 2-(3-butyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N,N-diphenylacetamide Traditional Name: 2-[(3-butyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]-N,N-diphenyl-acetamide Formula: C35H37N3O2S MolecularWeight: 563.75218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)N(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)N(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H37N3O2S/c1-2-3-23-37-33(40)31-32(29-20-12-11-15-26(29)24-35(31)21-13-6-14-22-35)36-34(37)41-25-30(39)38(27-16-7-4-8-17-27)28-18-9-5-10-19-28/h4-5,7-12,15-20H,2-3,6,13-14,21-25H2,1H3