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

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-methoxy-3-nitro-benzamide Formula: C22H17N3O4S MolecularWeight: 419.45308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O4S/c1-13-11-15(22-24-17-5-3-4-6-20(17)30-22)7-9-16(13)23-21(26)14-8-10-19(29-2)18(12-14)25(27)28/h3-12H,1-2H3,(H,23,26)