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

Systemtic Name: 1-[[3-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[3-(2-furylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[3-(2-furanylmethyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[3-(2-furfuryl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C25H30N5O4S+ MolecularWeight: 496.6018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=CO5)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=CO5)C(=O)N

InChI

InChI=1S/C25H29N5O4S/c26-23(33)25(29-10-2-1-3-11-29)8-12-28(13-9-25)21(31)17-6-7-19-20(15-17)27-24(35)30(22(19)32)16-18-5-4-14-34-18/h4-7,14-15H,1-3,8-13,16H2,(H2,26,33)(H,27,35)/p+1