2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-quinolin-5-yl-propanamide

Systemtic Name: 2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-quinolin-5-yl-propanamide Openeye Name: 2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(5-quinolyl)propanamide CAS Name: 2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-quinolin-5-ylpropanamide Traditional Name: 2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]-N-(5-quinolyl)propionamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

InChI

InChI=1S/C25H24N4O2S/c1-16(23(30)27-21-14-6-13-20-18(21)11-7-15-26-20)32-25-28-22-12-5-4-10-19(22)24(31)29(25)17-8-2-3-9-17/h4-7,10-17H,2-3,8-9H2,1H3,(H,27,30)