2-[3-[(2R)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[3-[(2R)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-[(1R)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-[(2R)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[4-keto-3-[(1R)-1-methylpropyl]quinazolin-2-yl]thio]acetamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)CC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2[C@H](C)CC)C

InChI

InChI=1S/C23H27N3O2S/c1-5-16(4)26-22(28)18-12-7-8-13-19(18)24-23(26)29-14-20(27)25-21-15(3)10-9-11-17(21)6-2/h7-13,16H,5-6,14H2,1-4H3,(H,25,27)/t16-/m1/s1