N-(2-ethyl-6-methyl-phenyl)-2-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanyl-acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanylacetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]thio]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC(C)C2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CS[C@H](C)C2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C21H23N3O2S/c1-4-15-9-7-8-13(2)19(15)23-18(25)12-27-14(3)20-22-17-11-6-5-10-16(17)21(26)24-20/h5-11,14H,4,12H2,1-3H3,(H,23,25)(H,22,24,26)/t14-/m1/s1