2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N4O4S/c1-4-27-14-6-8-16-17(10-14)22-19(21-16)28-12(3)18(24)20-15-7-5-13(23(25)26)9-11(15)2/h5-10,12H,4H2,1-3H3,(H,20,24)(H,21,22)