2-[(2-azanyl-5-chloranyl-phenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2-azanyl-5-chloranyl-phenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-[(2-amino-5-chloro-phenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-[[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]thio]-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-[[(2-amino-5-chloro-phenyl)-(2-chlorophenyl)methyl]thio]-N-(3-imidazol-1-ylpropyl)acetamide Formula: C21H22Cl2N4OS MolecularWeight: 449.39658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=C(C=CC(=C2)Cl)N)SCC(=O)NCCCN3C=CN=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=C(C=CC(=C2)Cl)N)SCC(=O)NCCCN3C=CN=C3)Cl

InChI

InChI=1S/C21H22Cl2N4OS/c22-15-6-7-19(24)17(12-15)21(16-4-1-2-5-18(16)23)29-13-20(28)26-8-3-10-27-11-9-25-14-27/h1-2,4-7,9,11-12,14,21H,3,8,10,13,24H2,(H,26,28)