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

Systemtic Name: 4-(pentanoylamino)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-(pentanoylamino)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-(1-oxopentylamino)-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-(pentanoylamino)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]-4-(valerylamino)benzamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S2/c1-2-3-9-18(26)22-16-12-10-15(11-13-16)20(27)23-21-25-24-19(29-21)14-28-17-7-5-4-6-8-17/h4-8,10-13H,2-3,9,14H2,1H3,(H,22,26)(H,23,25,27)