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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7-(3-pyrrolidin-1-ium-1-ylpropylcarbamoyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(4-chlorophenyl)methyl]-7-(3-pyrrolidin-1-ium-1-ylpropylcarbamoyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[(4-chlorophenyl)methyl]-7-[oxo-[3-(1-pyrrolidin-1-iumyl)propylamino]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(4-chlorophenyl)methyl]-7-(3-pyrrolidin-1-ium-1-ylpropylcarbamoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(4-chlorobenzyl)-7-(3-pyrrolidin-1-ium-1-ylpropylcarbamoyl)-2-thioxo-quinazolin-4-olate Formula: C23H25ClN4O2S MolecularWeight: 456.9882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])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/h4-9,14,30H,1-3,10-13,15H2,(H,25,29)