[5-[(4-methylphenyl)methylcarbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [5-[(4-methylphenyl)methylcarbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [5-(p-tolylmethylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [5-[[(4-methylphenyl)methylamino]-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester IUPAC Name: [5-[(4-methylphenyl)methylcarbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [5-[(4-methylbenzyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl ester Formula: C24H26N4O4S2 MolecularWeight: 498.61764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H26N4O4S2/c1-16-8-10-17(11-9-16)14-25-22(30)23-28-27-20(34-23)15-32-24(31)19(12-13-33-2)26-21(29)18-6-4-3-5-7-18/h3-11,19H,12-15H2,1-2H3,(H,25,30)(H,26,29)