2-[2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide

Systemtic Name: 2-[2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide Openeye Name: 2-[[2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzamide CAS Name: 2-[[2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide Traditional Name: 2-[[2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]acetyl]amino]benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H22N4O3S/c1-3-13(2)25-20(28)15-9-5-7-11-17(15)24-21(25)29-12-18(26)23-16-10-6-4-8-14(16)19(22)27/h4-11,13H,3,12H2,1-2H3,(H2,22,27)(H,23,26)/t13-/m0/s1