2-[(3-tert-butylphenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide

Systemtic Name: 2-[(3-tert-butylphenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide Openeye Name: 2-[(3-tert-butylphenyl)methylsulfonyl-(cyanomethyl)amino]thioacetamide CAS Name: 2-[(3-tert-butylphenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide IUPAC Name: 2-[(3-tert-butylphenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide Traditional Name: 2-[(3-tert-butylbenzyl)sulfonyl-(cyanomethyl)amino]thioacetamide Formula: C15H21N3O2S2 MolecularWeight: 339.47614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1)CS(=O)(=O)N(CC#N)CC(=S)N

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1)CS(=O)(=O)N(CC#N)CC(=S)N

InChI

InChI=1S/C15H21N3O2S2/c1-15(2,3)13-6-4-5-12(9-13)11-22(19,20)18(8-7-16)10-14(17)21/h4-6,9H,8,10-11H2,1-3H3,(H2,17,21)