2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-phenyl-propanamide

Systemtic Name: 2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-phenyl-propanamide Openeye Name: 2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-N-phenyl-propanamide CAS Name: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-phenylpropanamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide Traditional Name: 2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]-N-phenyl-propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-4-14(2)24-20(26)17-12-8-9-13-18(17)23-21(24)27-15(3)19(25)22-16-10-6-5-7-11-16/h5-15H,4H2,1-3H3,(H,22,25)