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

Systemtic Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-(p-tolylmethyl)acetamide CAS Name: 2-[[4-(butylamino)-2-quinazolinyl]thio]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[[4-(butylamino)quinazolin-2-yl]thio]-N-(4-methylbenzyl)acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N4OS/c1-3-4-13-23-21-18-7-5-6-8-19(18)25-22(26-21)28-15-20(27)24-14-17-11-9-16(2)10-12-17/h5-12H,3-4,13-15H2,1-2H3,(H,24,27)(H,23,25,26)