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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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