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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC=C1)CS(=O)(=O)N(CC#N)CC(=S)N

Isomeric SMILES

CCCCC1=CC(=CC=C1)CS(=O)(=O)N(CC#N)CC(=S)N

InChI

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