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

Systemtic Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-N-(2-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)SCCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-2-26-12-7-8-13-15(11-12)21-18(20-13)27-10-9-17(23)19-14-5-3-4-6-16(14)22(24)25/h3-8,11H,2,9-10H2,1H3,(H,19,23)(H,20,21)