4-benzamido-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-benzamido-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-benzamido-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-benzamido-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-benzamido-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-benzamido-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-21(2,3)13-17-24-25-20(28-17)23-19(27)15-9-11-16(12-10-15)22-18(26)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,22,26)(H,23,25,27)