3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(phenylmethyl)propanamide

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-benzyl-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C18H17N3O2S/c22-16(19-12-13-6-2-1-3-7-13)10-11-21-17(23)14-8-4-5-9-15(14)20-18(21)24/h1-9H,10-12H2,(H,19,22)(H,20,24)