2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide CAS Name: 2-[[4-[(4-chlorophenyl)methylamino]-2-quinazolinyl]thio]-N-(2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[[4-[(4-chlorobenzyl)amino]quinazolin-2-yl]thio]-N-(2,5-dimethoxyphenyl)acetamide Formula: C25H23ClN4O3S MolecularWeight: 494.99312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN4O3S/c1-32-18-11-12-22(33-2)21(13-18)28-23(31)15-34-25-29-20-6-4-3-5-19(20)24(30-25)27-14-16-7-9-17(26)10-8-16/h3-13H,14-15H2,1-2H3,(H,28,31)(H,27,29,30)