3-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylpropanamide

Systemtic Name: 3-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylpropanamide Openeye Name: 3-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylpropanamide CAS Name: 3-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: 3-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: 3-[(3-benzyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCC(=O)N

InChI

InChI=1S/C18H17N3O2S/c19-16(22)10-11-24-18-20-15-9-5-4-8-14(15)17(23)21(18)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,22)