N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C23H26ClN4O2S+ MolecularWeight: 457.99614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H25ClN4O2S/c24-18-9-3-1-7-16(18)20(27-12-5-6-13-27)15-25-21(29)11-14-28-22(30)17-8-2-4-10-19(17)26-23(28)31/h1-4,7-10,20H,5-6,11-15H2,(H,25,29)(H,26,31)/p+1/t20-/m0/s1