3-[(4-chlorophenyl)methyl]-4-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)methyl]-4-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-4-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-4-oxo-N-[3-(1-pyrrolidin-1-iumyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-4-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-4-keto-N-(3-pyrrolidin-1-ium-1-ylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H26ClN4O2S+ MolecularWeight: 457.99614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4O2S/c24-18-7-4-16(5-8-18)15-28-22(30)19-9-6-17(14-20(19)26-23(28)31)21(29)25-10-3-13-27-11-1-2-12-27/h4-9,14H,1-3,10-13,15H2,(H,25,29)(H,26,31)/p+1