N-[2-azanyl-4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-phenyl]ethanamide

Systemtic Name: N-[2-azanyl-4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-phenyl]ethanamide Openeye Name: N-[2-amino-4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanyl-phenyl]acetamide CAS Name: N-[2-amino-4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]acetamide IUPAC Name: N-[2-amino-4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]acetamide Traditional Name: N-[2-amino-4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]acetamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)N

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)N

InChI

InChI=1S/C21H23ClN4OS/c1-15(27)25-21-9-8-18(12-20(21)23)28-19(13-26-11-10-24-14-26)7-4-16-2-5-17(22)6-3-16/h2-3,5-6,8-12,14,19H,4,7,13,23H2,1H3,(H,25,27)