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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7-(4-piperidin-1-ium-1-ylpiperidin-1-yl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(4-chlorophenyl)methyl]-7-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[(4-chlorophenyl)methyl]-7-[oxo-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(4-chlorophenyl)methyl]-7-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(4-chlorobenzyl)-7-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)-2-thioxo-quinazolin-4-olate Formula: C26H29ClN4O2S MolecularWeight: 497.05206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H29ClN4O2S/c27-20-7-4-18(5-8-20)17-31-25(33)22-9-6-19(16-23(22)28-26(31)34)24(32)30-14-10-21(11-15-30)29-12-2-1-3-13-29/h4-9,16,21,33H,1-3,10-15,17H2