N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)benzyl]-2-(4-nitrophenoxy)acetamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c26-21(14-29-18-11-9-17(10-12-18)25(27)28)23-13-15-5-7-16(8-6-15)22-24-19-3-1-2-4-20(19)30-22/h1-12H,13-14H2,(H,23,26)