(2S)-N-(methylcarbamoyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(methylcarbamoyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: (2S)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-N-(methylcarbamoyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(methylcarbamoyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-2-phenylacetamide Traditional Name: (2S)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C21H20N4O3S/c1-3-13-25-19(27)15-11-7-8-12-16(15)23-21(25)29-17(14-9-5-4-6-10-14)18(26)24-20(28)22-2/h3-12,17H,1,13H2,2H3,(H2,22,24,26,28)/t17-/m0/s1