N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-4-(propanoylamino)benzamide

Systemtic Name: N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-4-(propanoylamino)benzamide Openeye Name: N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-4-(propanoylamino)benzamide CAS Name: 4-(1-oxopropylamino)-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-4-(propanoylamino)benzamide Traditional Name: N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]-4-propionamido-benzamide Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CSC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CSC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O2S2/c1-2-16(24)20-14-10-8-13(9-11-14)18(25)21-19-23-22-17(27-19)12-26-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,20,24)(H,21,23,25)