2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanamide

Systemtic Name: 2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanamide Openeye Name: 2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylpropanamide CAS Name: 2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

Isomeric SMILES

CC(C(=O)N)SC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

InChI

InChI=1S/C17H21N3O2S/c1-11(15(18)21)23-17-19-14-10-6-5-9-13(14)16(22)20(17)12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H2,18,21)