2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(4-nitrophenyl)propanamide

Systemtic Name: 2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(4-nitrophenyl)propanamide Openeye Name: 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(4-nitrophenyl)propanamide CAS Name: 2-[[5-chloro-1-(2-methoxyethyl)-2-benzimidazolyl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: 2-[[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]thio]-N-(4-nitrophenyl)propionamide Formula: C19H19ClN4O4S MolecularWeight: 434.89656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O4S/c1-12(18(25)21-14-4-6-15(7-5-14)24(26)27)29-19-22-16-11-13(20)3-8-17(16)23(19)9-10-28-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,25)