3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-(pyrrolidinomethyl)benzyl]propionamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C23H26N4O2S/c28-21(11-14-27-22(29)19-9-3-4-10-20(19)25-23(27)30)24-15-17-7-1-2-8-18(17)16-26-12-5-6-13-26/h1-4,7-10H,5-6,11-16H2,(H,24,28)(H,25,30)