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

Systemtic Name: N-[2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]benzamide Openeye Name: N-[2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]benzamide CAS Name: N-[2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]benzamide IUPAC Name: N-[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]benzamide Traditional Name: N-[2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]acetyl]benzamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-3-14(2)24-20(27)16-11-7-8-12-17(16)22-21(24)28-13-18(25)23-19(26)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,23,25,26)/t14-/m0/s1