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

Systemtic Name: 2-methyl-N-[3-oxidanylidene-3-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]propyl]benzamide Openeye Name: N-[3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-propyl]-2-methyl-benzamide CAS Name: 2-methyl-N-[3-oxo-3-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]amino]propyl]benzamide IUPAC Name: N-[3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide Traditional Name: N-[3-[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]amino]-3-keto-propyl]-2-methyl-benzamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O2S2/c1-14-7-5-6-10-16(14)18(26)21-12-11-17(25)22-19-23-24-20(28-19)27-13-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,21,26)(H,22,23,25)