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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7-(3-piperidin-1-ium-1-ylpropylcarbamoyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(4-chlorophenyl)methyl]-7-(3-piperidin-1-ium-1-ylpropylcarbamoyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[(4-chlorophenyl)methyl]-7-[oxo-[3-(1-piperidin-1-iumyl)propylamino]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(4-chlorophenyl)methyl]-7-(3-piperidin-1-ium-1-ylpropylcarbamoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(4-chlorobenzyl)-7-(3-piperidin-1-ium-1-ylpropylcarbamoyl)-2-thioxo-quinazolin-4-olate Formula: C24H27ClN4O2S MolecularWeight: 471.01478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN4O2S/c25-19-8-5-17(6-9-19)16-29-23(31)20-10-7-18(15-21(20)27-24(29)32)22(30)26-11-4-14-28-12-2-1-3-13-28/h5-10,15,31H,1-4,11-14,16H2,(H,26,30)