3-(2,2-dimethylpropanoylamino)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-(2,2-dimethylpropanoylamino)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-(pivaloylamino)benzamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S2/c1-21(2,3)18(27)22-16-11-7-10-15(12-16)17(26)23-19-24-25-20(29-19)28-13-14-8-5-4-6-9-14/h4-12H,13H2,1-3H3,(H,22,27)(H,23,24,26)