N-[(4-methylphenyl)methyl]-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(p-tolylmethyl)propanamide CAS Name: N-[(4-methylphenyl)methyl]-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(4-keto-3-propyl-quinazolin-2-yl)thio]-N-(4-methylbenzyl)propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C22H25N3O2S/c1-4-13-25-21(27)18-7-5-6-8-19(18)24-22(25)28-16(3)20(26)23-14-17-11-9-15(2)10-12-17/h5-12,16H,4,13-14H2,1-3H3,(H,23,26)