2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide

Systemtic Name: 2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide Openeye Name: 2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide CAS Name: N-[anilino(oxo)methyl]-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: 2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide Traditional Name: 2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]-N-(phenylcarbamoyl)propionamide Formula: C24H21N5O3S MolecularWeight: 459.52024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C24H21N5O3S/c1-16(21(30)28-23(32)26-18-9-3-2-4-10-18)33-24-27-20-12-6-5-11-19(20)22(31)29(24)15-17-8-7-13-25-14-17/h2-14,16H,15H2,1H3,(H2,26,28,30,32)