N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C26H32ClN4O2S+ MolecularWeight: 500.07588

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H31ClN4O2S/c27-20-11-9-19(10-12-20)18-30-16-13-21(14-17-30)28-24(32)8-2-1-5-15-31-25(33)22-6-3-4-7-23(22)29-26(31)34/h3-4,6-7,9-12,21H,1-2,5,8,13-18H2,(H,28,32)(H,29,34)/p+1