N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-methyl-4-nitro-phenoxy)ethanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-methyl-4-nitro-phenoxy)ethanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-methyl-4-nitro-phenoxy)acetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-methyl-4-nitro-phenoxy)acetamide Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC4=C(C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC4=C(C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H19N3O4S/c1-14-3-9-19-21(11-14)31-23(25-19)16-4-6-17(7-5-16)24-22(27)13-30-20-10-8-18(26(28)29)12-15(20)2/h3-12H,13H2,1-2H3,(H,24,27)