(2S)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: (2S)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: (2S)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide CAS Name: (2S)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: (2S)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-mesityl-propionamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4)C

InChI

InChI=1S/C23H25N3O2S/c1-13-11-14(2)20(15(3)12-13)25-21(27)16(4)29-23-24-19-8-6-5-7-18(19)22(28)26(23)17-9-10-17/h5-8,11-12,16-17H,9-10H2,1-4H3,(H,25,27)/t16-/m0/s1