3-[(4-chlorophenyl)methyl]-7-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(4-chlorophenyl)methyl]-7-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[(4-chlorophenyl)methyl]-7-[oxo-[2-(1-pyrrolidin-1-iumyl)ethylamino]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(4-chlorophenyl)methyl]-7-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(4-chlorobenzyl)-7-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)-2-thioxo-quinazolin-4-olate Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])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/h3-8,13,29H,1-2,9-12,14H2,(H,24,28)