2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: 2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(benzylcarbamoyl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C20H20N4O3S/c1-13(17(25)23-19(27)21-12-14-8-4-3-5-9-14)28-20-22-16-11-7-6-10-15(16)18(26)24(20)2/h3-11,13H,12H2,1-2H3,(H2,21,23,25,27)