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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-4-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-4-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-4-oxo-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-4-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-4-keto-N-(2-pyrrolidin-1-ium-1-ylethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H24ClN4O2S+ MolecularWeight: 443.96956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O2S/c23-17-6-3-15(4-7-17)14-27-21(29)18-8-5-16(13-19(18)25-22(27)30)20(28)24-9-12-26-10-1-2-11-26/h3-8,13H,1-2,9-12,14H2,(H,24,28)(H,25,30)/p+1