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

Systemtic Name: 5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitro-benzamide Openeye Name: 5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitro-benzamide CAS Name: 5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzamide IUPAC Name: 5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzamide Traditional Name: 5-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=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

InChI

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