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

Systemtic Name: 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide CAS Name: 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide IUPAC Name: 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: 4-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(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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