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

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

Isomeric SMILES

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

InChI

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