(2S)-N-(2,6-dimethylphenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(2,6-dimethylphenyl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

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