3-butyl-2-sulfanylidene-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 3-butyl-2-sulfanylidene-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-butyl-2-thioxo-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-butyl-2-sulfanylidene-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-butyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-butyl-2-thioxo-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)NC1=S

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)NC1=S

InChI

InChI=1S/C21H26N2OS/c1-2-3-13-23-19(24)17-18(22-20(23)25)16-10-6-5-9-15(16)14-21(17)11-7-4-8-12-21/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H,22,25)