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

Systemtic Name: 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-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=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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