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

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C23H26N4O2S/c28-21(11-14-27-22(29)19-5-1-2-6-20(19)25-23(27)30)24-15-17-7-9-18(10-8-17)16-26-12-3-4-13-26/h1-2,5-10H,3-4,11-16H2,(H,24,28)(H,25,30)/p+1