6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]hexanamide Openeye Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]hexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]hexanamide Formula: C26H33N4O2S+ MolecularWeight: 465.63082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C26H32N4O2S/c31-24(27-18-20-11-13-21(14-12-20)19-29-15-6-7-16-29)10-2-1-5-17-30-25(32)22-8-3-4-9-23(22)28-26(30)33/h3-4,8-9,11-14H,1-2,5-7,10,15-19H2,(H,27,31)(H,28,33)/p+1