2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(3-nitrophenyl)propanamide

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(3-nitrophenyl)propanamide Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-N-(3-nitrophenyl)propanamide IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(3-nitrophenyl)propanamide Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-N-(3-nitrophenyl)propionamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-3-26-14-7-8-15-16(10-14)21-18(20-15)27-11(2)17(23)19-12-5-4-6-13(9-12)22(24)25/h4-11H,3H2,1-2H3,(H,19,23)(H,20,21)