3-methyl-7-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-methyl-7-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-methyl-7-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-methyl-7-[[[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-methyl-7-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-methyl-7-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C)C4=CC=CS4

InChI

InChI=1S/C22H26N4O2S2/c1-14-7-9-26(10-8-14)18(19-4-3-11-30-19)13-23-20(27)15-5-6-16-17(12-15)24-22(29)25(2)21(16)28/h3-6,11-12,14,18,28H,7-10,13H2,1-2H3,(H,23,27)/t18-/m1/s1