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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[[2-(dimethylaminomethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(4-chlorobenzyl)-2-[[2-(dimethylaminomethyl)quinazolin-4-yl]thio]acetamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-25(2)12-18-23-17-6-4-3-5-16(17)20(24-18)27-13-19(26)22-11-14-7-9-15(21)10-8-14/h3-10H,11-13H2,1-2H3,(H,22,26)