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

Systemtic Name: N-[2-(cyclohexylcarbonylamino)-1,3-benzothiazol-6-yl]-3,5-dinitro-benzamide Openeye Name: N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]-3,5-dinitro-benzamide CAS Name: N-[2-[[cyclohexyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]-3,5-dinitrobenzamide Traditional Name: N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]-3,5-dinitro-benzamide Formula: C21H19N5O6S MolecularWeight: 469.47046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O6S/c27-19(12-4-2-1-3-5-12)24-21-23-17-7-6-14(10-18(17)33-21)22-20(28)13-8-15(25(29)30)11-16(9-13)26(31)32/h6-12H,1-5H2,(H,22,28)(H,23,24,27)