1-[3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)benzoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C26H29ClN5O3S+ MolecularWeight: 527.05816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C=C(C=C5)Cl)NC4=S)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C=C(C=C5)Cl)NC4=S)C(=O)N

InChI

InChI=1S/C26H28ClN5O3S/c27-18-7-8-20-21(16-18)29-25(36)32(23(20)34)19-6-4-5-17(15-19)22(33)30-13-9-26(10-14-30,24(28)35)31-11-2-1-3-12-31/h4-8,15-16H,1-3,9-14H2,(H2,28,35)(H,29,36)/p+1