4-piperidin-1-ium-1-yl-1-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: 4-piperidin-1-ium-1-yl-1-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: 4-piperidin-1-ium-1-yl-1-[4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzoyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]methyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 4-piperidin-1-ium-1-yl-1-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoyl]piperidine-4-carboxamide Traditional Name: 4-piperidin-1-ium-1-yl-1-[4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzoyl]isonipecotamide Formula: C27H33N6O2S+ MolecularWeight: 505.65492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC=C(C=C3)CNC4=NC(=S)NC5=CC=CC=C54)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC=C(C=C3)CNC4=NC(=S)NC5=CC=CC=C54)C(=O)N

InChI

InChI=1S/C27H32N6O2S/c28-25(35)27(33-14-4-1-5-15-33)12-16-32(17-13-27)24(34)20-10-8-19(9-11-20)18-29-23-21-6-2-3-7-22(21)30-26(36)31-23/h2-3,6-11H,1,4-5,12-18H2,(H2,28,35)(H2,29,30,31,36)/p+1