N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethanoylamino)benzamide

Systemtic Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethanoylamino)benzamide Openeye Name: 4-[(2-phenylacetyl)amino]-N-(5-sec-butylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: N-[5-(butan-2-ylthio)-1,3,4-thiadiazol-2-yl]-4-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(2-phenylacetyl)amino]benzamide Traditional Name: 4-[(2-phenylacetyl)amino]-N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)SC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3

InChI

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