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

Systemtic Name: 2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: 2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide CAS Name: 2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide IUPAC Name: 2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: 2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide Formula: C22H16N4O5S MolecularWeight: 448.45124

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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(=CC(=C4C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O5S/c1-12-3-8-18-20(9-12)32-22(24-18)14-4-6-15(7-5-14)23-21(27)17-10-16(25(28)29)11-19(13(17)2)26(30)31/h3-11H,1-2H3,(H,23,27)