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

Systemtic Name: 3-benzamido-4-methyl-N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-benzamido-N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide CAS Name: 3-benzamido-4-methyl-N-[5-[(phenylmethylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-benzamido-N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide Traditional Name: 3-benzamido-N-[5-[(benzylthio)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide Formula: C25H22N4O2S2 MolecularWeight: 474.59778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O2S2/c1-17-12-13-20(14-21(17)26-23(30)19-10-6-3-7-11-19)24(31)27-25-29-28-22(33-25)16-32-15-18-8-4-2-5-9-18/h2-14H,15-16H2,1H3,(H,26,30)(H,27,29,31)