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

Systemtic Name: 3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitro-benzamide Openeye Name: 3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitro-benzamide CAS Name: 3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzamide IUPAC Name: 3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzamide Traditional Name: 3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitro-benzamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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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)C4=C(C(=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O3S/c1-13-6-11-18-19(12-13)29-22(24-18)15-7-9-16(10-8-15)23-21(26)17-5-3-4-14(2)20(17)25(27)28/h3-12H,1-2H3,(H,23,26)