(2R)-2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-propanamide

Systemtic Name: (2R)-2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-propanamide Openeye Name: (2R)-2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-methyl-propanamide CAS Name: (2R)-2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-N-methylpropanamide IUPAC Name: (2R)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylpropanamide Traditional Name: (2R)-2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]-N-methyl-propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)NC

InChI

InChI=1S/C22H25N3O2S/c1-4-5-8-16-11-13-17(14-12-16)25-21(27)18-9-6-7-10-19(18)24-22(25)28-15(2)20(26)23-3/h6-7,9-15H,4-5,8H2,1-3H3,(H,23,26)/t15-/m1/s1