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

Systemtic Name: (2S)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-ethanoylphenyl)propanamide Openeye Name: (2S)-N-(2-acetylphenyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(2-acetylphenyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(2-acetylphenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(2-acetylphenyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C22H21N3O3S/c1-13(26)16-7-3-5-9-18(16)23-20(27)14(2)29-22-24-19-10-6-4-8-17(19)21(28)25(22)15-11-12-15/h3-10,14-15H,11-12H2,1-2H3,(H,23,27)/t14-/m0/s1