cyclohexyl-methyl-[[2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]methyl]azanium Traditional Name: cyclohexyl-[2-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzyl]-methyl-ammonium Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3NC2=S)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3NC2=S)C4CCCCC4

InChI

InChI=1S/C22H25N3OS/c1-24(17-10-3-2-4-11-17)15-16-9-5-8-14-20(16)25-21(26)18-12-6-7-13-19(18)23-22(25)27/h5-9,12-14,17H,2-4,10-11,15H2,1H3,(H,23,27)/p+1