3-methyl-7-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-methyl-7-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-methyl-7-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-methyl-7-[oxo-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-methyl-7-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-methyl-7-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4)[O-]

Isomeric SMILES

CN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4)[O-]

InChI

InChI=1S/C22H24N4O2S/c1-25-21(28)18-9-8-15(12-19(18)24-22(25)29)20(27)23-13-16-6-2-3-7-17(16)14-26-10-4-5-11-26/h2-3,6-9,12,28H,4-5,10-11,13-14H2,1H3,(H,23,27)