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

Systemtic Name: 7-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-3-methyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-3-methyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-oxomethyl]-3-methyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]-3-methyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-3-methyl-2-thioxo-quinazolin-4-olate Formula: C22H23ClN4O2S MolecularWeight: 442.96162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC(C3=CC=CC=C3Cl)[NH+]4CCCC4)[O-]

Isomeric SMILES

CN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC[C@@H](C3=CC=CC=C3Cl)[NH+]4CCCC4)[O-]

InChI

InChI=1S/C22H23ClN4O2S/c1-26-21(29)16-9-8-14(12-18(16)25-22(26)30)20(28)24-13-19(27-10-4-5-11-27)15-6-2-3-7-17(15)23/h2-3,6-9,12,19,29H,4-5,10-11,13H2,1H3,(H,24,28)/t19-/m0/s1