3-[(4-chlorophenyl)methyl]-7-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(4-chlorophenyl)methyl]-7-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethylcarbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-[(4-chlorophenyl)methyl]-7-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethylamino]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(4-chlorophenyl)methyl]-7-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethylcarbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(4-chlorobenzyl)-7-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethylcarbamoyl]-2-thioxo-quinazolin-4-olate Formula: C24H27ClN4O2S MolecularWeight: 471.01478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN4O2S/c1-16-4-2-3-12-28(16)13-11-26-22(30)18-7-10-20-21(14-18)27-24(32)29(23(20)31)15-17-5-8-19(25)9-6-17/h5-10,14,16,31H,2-4,11-13,15H2,1H3,(H,26,30)/t16-/m0/s1