(2S)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-ethanoylphenyl)propanamide

Systemtic Name: (2S)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-ethanoylphenyl)propanamide Openeye Name: (2S)-N-(4-acetylphenyl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(4-acetylphenyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(4-acetylphenyl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C24H25N3O3S/c1-15(28)17-11-13-18(14-12-17)25-22(29)16(2)31-24-26-21-10-6-5-9-20(21)23(30)27(24)19-7-3-4-8-19/h5-6,9-14,16,19H,3-4,7-8H2,1-2H3,(H,25,29)/t16-/m0/s1