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

Systemtic Name: 4-(2-methylpropanoylamino)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-(2-methylpropanoylamino)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-[(2-methyl-1-oxopropyl)amino]-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-(2-methylpropanoylamino)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-(isobutyrylamino)-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S2/c1-13(2)18(25)21-15-10-8-14(9-11-15)19(26)22-20-24-23-17(28-20)12-27-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,21,25)(H,22,24,26)