7-methoxycarbonyl-3-[[4-[2-(4-methylpiperidin-1-ium-1-yl)ethylcarbamoyl]phenyl]methyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-methoxycarbonyl-3-[[4-[2-(4-methylpiperidin-1-ium-1-yl)ethylcarbamoyl]phenyl]methyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-methoxycarbonyl-3-[[4-[2-(4-methylpiperidin-1-ium-1-yl)ethylcarbamoyl]phenyl]methyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-methoxycarbonyl-3-[[4-[[2-(4-methyl-1-piperidin-1-iumyl)ethylamino]-oxomethyl]phenyl]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-methoxycarbonyl-3-[[4-[2-(4-methylpiperidin-1-ium-1-yl)ethylcarbamoyl]phenyl]methyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-carbomethoxy-3-[4-[2-(4-methylpiperidin-1-ium-1-yl)ethylcarbamoyl]benzyl]-2-thioxo-quinazolin-4-olate Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCNC(=O)C2=CC=C(C=C2)CN3C(=C4C=CC(=CC4=NC3=S)C(=O)OC)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCNC(=O)C2=CC=C(C=C2)CN3C(=C4C=CC(=CC4=NC3=S)C(=O)OC)[O-]

InChI

InChI=1S/C26H30N4O4S/c1-17-9-12-29(13-10-17)14-11-27-23(31)19-5-3-18(4-6-19)16-30-24(32)21-8-7-20(25(33)34-2)15-22(21)28-26(30)35/h3-8,15,17,32H,9-14,16H2,1-2H3,(H,27,31)