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

Systemtic Name: 1-[(3-cyclopentyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(3-cyclopentyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-cyclopentyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(3-cyclopentyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C25H34N5O3S+ MolecularWeight: 484.63416

Click to see the large picture

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)C5CCCC5)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5CCCC5)C(=O)N

InChI

InChI=1S/C25H33N5O3S/c26-23(33)25(29-12-4-1-5-13-29)10-14-28(15-11-25)21(31)17-8-9-19-20(16-17)27-24(34)30(22(19)32)18-6-2-3-7-18/h8-9,16,18H,1-7,10-15H2,(H2,26,33)(H,27,34)/p+1