2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: 2-[[4-[(4-chlorophenyl)methylamino]-2-quinazolinyl]thio]-N-(3-pyridinylmethyl)butanamide IUPAC Name: 2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 2-[[4-[(4-chlorobenzyl)amino]quinazolin-2-yl]thio]-N-(3-pyridylmethyl)butyramide Formula: C25H24ClN5OS MolecularWeight: 478.00896

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H24ClN5OS/c1-2-22(24(32)29-16-18-6-5-13-27-14-18)33-25-30-21-8-4-3-7-20(21)23(31-25)28-15-17-9-11-19(26)12-10-17/h3-14,22H,2,15-16H2,1H3,(H,29,32)(H,28,30,31)