N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C

InChI

InChI=1S/C18H22N4O3S/c1-4-10-22-16(24)13-8-6-7-9-14(13)20-18(22)26-11-15(23)21-17(25)19-12(3)5-2/h4,6-9,12H,1,5,10-11H2,2-3H3,(H2,19,21,23,25)/t12-/m0/s1