N-[2-(cyclohexylcarbonylamino)-1,3-benzothiazol-6-yl]-4-nitro-benzamide

Systemtic Name: N-[2-(cyclohexylcarbonylamino)-1,3-benzothiazol-6-yl]-4-nitro-benzamide Openeye Name: N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]-4-nitro-benzamide CAS Name: N-[2-[[cyclohexyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl]-4-nitrobenzamide IUPAC Name: N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]-4-nitrobenzamide Traditional Name: N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]-4-nitro-benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c26-19(14-6-9-16(10-7-14)25(28)29)22-15-8-11-17-18(12-15)30-21(23-17)24-20(27)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,22,26)(H,23,24,27)