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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C3=NC4=CC=CC=C4S3

InChI

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