2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-N-(2-oxidanylideneazepan-3-yl)ethanamide

Systemtic Name: 2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: 2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanyl-N-(2-oxoazepan-3-yl)acetamide CAS Name: 2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-oxoazepan-3-yl)acetamide Traditional Name: 2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]-N-(2-ketoazepan-3-yl)acetamide Formula: C18H23ClN4O2S MolecularWeight: 394.91882

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3CCCCNC3=O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3CCCCNC3=O

InChI

InChI=1S/C18H23ClN4O2S/c1-2-9-23-15-7-6-12(19)10-14(15)22-18(23)26-11-16(24)21-13-5-3-4-8-20-17(13)25/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,20,25)(H,21,24)