2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(benzylcarbamoyl)-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NCC4=CC=CC=C4

InChI

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