2-(butylsulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-(butylsulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-(butylsulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[(butylthio)methyl]-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-(butylsulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[(butylthio)methyl]spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C22H28N2OS MolecularWeight: 368.53552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC24CCCCC4

Isomeric SMILES

CCCCSCC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC24CCCCC4

InChI

InChI=1S/C22H28N2OS/c1-2-3-13-26-15-18-23-20-17-10-6-5-9-16(17)14-22(11-7-4-8-12-22)19(20)21(25)24-18/h5-6,9-10H,2-4,7-8,11-15H2,1H3,(H,23,24,25)