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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide Formula: C21H14N4O5S MolecularWeight: 434.42466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H14N4O5S/c1-12-2-7-18-19(8-12)31-21(23-18)13-3-5-15(6-4-13)22-20(26)14-9-16(24(27)28)11-17(10-14)25(29)30/h2-11H,1H3,(H,22,26)