4-[[2-(cyclohexylcarbonylamino)-1,3-benzothiazol-6-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-(cyclohexylcarbonylamino)-1,3-benzothiazol-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-[[cyclohexyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carbonyl]amino]benzoic acid Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H21N3O4S/c26-19(13-4-2-1-3-5-13)25-22-24-17-11-8-15(12-18(17)30-22)20(27)23-16-9-6-14(7-10-16)21(28)29/h6-13H,1-5H2,(H,23,27)(H,28,29)(H,24,25,26)