2-acetamido-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid

Systemtic Name: 2-acetamido-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Openeye Name: 2-acetamido-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid CAS Name: 2-acetamido-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid IUPAC Name: 2-acetamido-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Traditional Name: 2-acetamido-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C2=NN(C(=NC3CCCCC3)S2)C)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C2=NN(C(=NC3CCCCC3)S2)C)C(=O)O

InChI

InChI=1S/C18H22N4O3S/c1-11(23)19-15-10-12(8-9-14(15)17(24)25)16-21-22(2)18(26-16)20-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,19,23)(H,24,25)