3,5-dinitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3,5-dinitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3,5-dinitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5S/c1-9(2)13-4-3-5-14-15(13)18-17(27-14)19-16(22)10-6-11(20(23)24)8-12(7-10)21(25)26/h3-9H,1-2H3,(H,18,19,22)