N-[4-[2-(2-cyclohexylquinazolin-4-yl)sulfanylethanoylamino]phenyl]propanamide

Systemtic Name: N-[4-[2-(2-cyclohexylquinazolin-4-yl)sulfanylethanoylamino]phenyl]propanamide Openeye Name: N-[4-[[2-(2-cyclohexylquinazolin-4-yl)sulfanylacetyl]amino]phenyl]propanamide CAS Name: N-[4-[[2-[(2-cyclohexyl-4-quinazolinyl)thio]-1-oxoethyl]amino]phenyl]propanamide IUPAC Name: N-[4-[[2-(2-cyclohexylquinazolin-4-yl)sulfanylacetyl]amino]phenyl]propanamide Traditional Name: N-[4-[[2-[(2-cyclohexylquinazolin-4-yl)thio]acetyl]amino]phenyl]propionamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4CCCCC4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4CCCCC4

InChI

InChI=1S/C25H28N4O2S/c1-2-22(30)26-18-12-14-19(15-13-18)27-23(31)16-32-25-20-10-6-7-11-21(20)28-24(29-25)17-8-4-3-5-9-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,26,30)(H,27,31)