N-butan-2-yl-2-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]ethanamide

Systemtic Name: N-butan-2-yl-2-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]ethanamide Openeye Name: 2-[4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]acetamide IUPAC Name: N-butan-2-yl-2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]acetamide Traditional Name: 2-[4-(4-keto-2-thioxo-1H-quinazolin-3-yl)phenyl]-N-sec-butyl-acetamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCC(C)NC(=O)CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C20H21N3O2S/c1-3-13(2)21-18(24)12-14-8-10-15(11-9-14)23-19(25)16-6-4-5-7-17(16)22-20(23)26/h4-11,13H,3,12H2,1-2H3,(H,21,24)(H,22,26)