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

Systemtic Name: 4-(2-methylpropoxy)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-isobutoxy-benzamide CAS Name: 4-(2-methylpropoxy)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropoxy)benzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-isobutoxy-benzamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S2/c1-14(2)12-25-17-10-8-16(9-11-17)18(24)21-19-22-23-20(27-19)26-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,22,24)