(2R)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-benzyl-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O2S/c1-17-13-18(2)15-21(14-17)29-25(31)22-11-7-8-12-23(22)28-26(29)32-19(3)24(30)27-16-20-9-5-4-6-10-20/h4-15,19H,16H2,1-3H3,(H,27,30)/t19-/m1/s1