2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[[5-chloro-1-(2-methoxyethyl)-2-benzimidazolyl]thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C20H21ClN4O5S MolecularWeight: 464.92254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=C(N2CCOC)C=CC(=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=C(N2CCOC)C=CC(=C3)Cl

InChI

InChI=1S/C20H21ClN4O5S/c1-12(19(26)22-16-11-14(25(27)28)5-7-18(16)30-3)31-20-23-15-10-13(21)4-6-17(15)24(20)8-9-29-2/h4-7,10-12H,8-9H2,1-3H3,(H,22,26)