2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-(4-ethylphenyl)butanamide IUPAC Name: 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-(4-ethylphenyl)butyramide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

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