N-butyl-2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: N-butyl-2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-N-methyl-ethanamide Openeye Name: N-butyl-2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-N-methyl-acetamide CAS Name: N-butyl-2-[[4-[(4-chlorophenyl)methylamino]-2-quinazolinyl]thio]-N-methylacetamide IUPAC Name: N-butyl-2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-N-methylacetamide Traditional Name: N-butyl-2-[[4-[(4-chlorobenzyl)amino]quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN(C)C(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4OS/c1-3-4-13-27(2)20(28)15-29-22-25-19-8-6-5-7-18(19)21(26-22)24-14-16-9-11-17(23)12-10-16/h5-12H,3-4,13-15H2,1-2H3,(H,24,25,26)