N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-4-[(2-methyl-1-imidazolyl)methyl]benzamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2=CC=C(C=C2)C(=O)NCCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NC=CN1CC2=CC=C(C=C2)C(=O)NCCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-16-23-9-11-25(16)14-17-5-7-19(8-6-17)21(26)24-10-12-27-15-18-3-2-4-20(22)13-18/h2-9,11,13H,10,12,14-15H2,1H3,(H,24,26)