(2S)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: (2S)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-N-[oxo-(propan-2-ylamino)methyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(isopropylcarbamoyl)propionamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC=C

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)SC1=NC2=CC=CC=C2C(=O)N1CC=C

InChI

InChI=1S/C18H22N4O3S/c1-5-10-22-16(24)13-8-6-7-9-14(13)20-18(22)26-12(4)15(23)21-17(25)19-11(2)3/h5-9,11-12H,1,10H2,2-4H3,(H2,19,21,23,25)/t12-/m0/s1