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

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-(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(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

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