2-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H19N3O3S/c1-20(2,3)13-10-8-12(9-11-13)17-22-23-19(27-17)21-16(24)14-6-4-5-7-15(14)18(25)26/h4-11H,1-3H3,(H,25,26)(H,21,23,24)