(2S)-2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)propanamide

Systemtic Name: (2S)-2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)propanamide Openeye Name: (2S)-2-[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)propanamide CAS Name: (2S)-2-[[3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methoxyphenyl)propanamide IUPAC Name: (2S)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)propanamide Traditional Name: (2S)-2-[[3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-methoxyphenyl)propionamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=CC=C4OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)NC4=CC=CC=C4OC)C

InChI

InChI=1S/C26H25N3O3S/c1-16-10-9-14-22(17(16)2)29-25(31)19-11-5-6-12-20(19)28-26(29)33-18(3)24(30)27-21-13-7-8-15-23(21)32-4/h5-15,18H,1-4H3,(H,27,30)/t18-/m0/s1