N-(cyanomethyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-phenyl-acetamide Formula: C18H21N5OS2 MolecularWeight: 387.52224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5OS2/c19-11-12-23(15-9-5-2-6-10-15)16(24)13-25-18-22-21-17(26-18)20-14-7-3-1-4-8-14/h2,5-6,9-10,14H,1,3-4,7-8,12-13H2,(H,20,21)