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

Systemtic Name: N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(2-methylpropoxy)benzamide Openeye Name: 4-isobutoxy-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(2-methylpropoxy)benzamide Traditional Name: 4-isobutoxy-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)OCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)OCC(C)C

InChI

InChI=1S/C21H23N3O2S2/c1-14(2)12-26-18-10-8-17(9-11-18)19(25)22-20-23-24-21(28-20)27-13-16-6-4-15(3)5-7-16/h4-11,14H,12-13H2,1-3H3,(H,22,23,25)