methyl 4-[[5-(2-phenylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(2-phenylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(2-phenylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(1-oxo-2-phenylbutyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-phenylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(2-phenylbutanoylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S2/c1-3-17(15-7-5-4-6-8-15)18(25)22-20-23-24-21(29-20)28-13-14-9-11-16(12-10-14)19(26)27-2/h4-12,17H,3,13H2,1-2H3,(H,22,23,25)