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

Systemtic Name: (2S)-2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylpropyl)propanamide Openeye Name: (2S)-2-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-isobutyl-propanamide CAS Name: (2S)-2-[[3-(2,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methylpropyl)propanamide IUPAC Name: (2S)-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)propanamide Traditional Name: (2S)-2-[[3-(2,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-isobutyl-propionamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-14(2)13-24-21(27)17(5)29-23-25-19-9-7-6-8-18(19)22(28)26(23)20-11-10-15(3)12-16(20)4/h6-12,14,17H,13H2,1-5H3,(H,24,27)/t17-/m0/s1