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

Systemtic Name: 1-[[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C28H38N5O3S+ MolecularWeight: 524.69802

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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)CCC5=CCCCC5)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCC5=CCCCC5)C(=O)N

InChI

InChI=1S/C28H37N5O3S/c29-26(36)28(32-14-5-2-6-15-32)12-17-31(18-13-28)24(34)21-9-10-22-23(19-21)30-27(37)33(25(22)35)16-11-20-7-3-1-4-8-20/h7,9-10,19H,1-6,8,11-18H2,(H2,29,36)(H,30,37)/p+1