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

Systemtic Name: N-[(2S)-butan-2-yl]-2-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(m-tolyl)quinazolin-2-yl]thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C

InChI

InChI=1S/C21H23N3O2S/c1-4-15(3)22-19(25)13-27-21-23-18-11-6-5-10-17(18)20(26)24(21)16-9-7-8-14(2)12-16/h5-12,15H,4,13H2,1-3H3,(H,22,25)/t15-/m0/s1