2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(p-tolylmethyl)acetamide CAS Name: 2-[[4-(cyclohexylamino)-2-quinazolinyl]thio]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[[4-(cyclohexylamino)quinazolin-2-yl]thio]-N-(4-methylbenzyl)acetamide Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CCCCC4

InChI

InChI=1S/C24H28N4OS/c1-17-11-13-18(14-12-17)15-25-22(29)16-30-24-27-21-10-6-5-9-20(21)23(28-24)26-19-7-3-2-4-8-19/h5-6,9-14,19H,2-4,7-8,15-16H2,1H3,(H,25,29)(H,26,27,28)