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

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(4-acetylphenyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-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=C(C=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

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