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

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[[2-(1-piperidylmethyl)phenyl]methyl]propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(1-piperidinylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-(piperidinomethyl)benzyl]propionamide Formula: C24H28N4O2S MolecularWeight: 436.56972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2CNC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2CNC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C24H28N4O2S/c29-22(12-15-28-23(30)20-10-4-5-11-21(20)26-24(28)31)25-16-18-8-2-3-9-19(18)17-27-13-6-1-7-14-27/h2-5,8-11H,1,6-7,12-17H2,(H,25,29)(H,26,31)