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

Systemtic Name: 2-[cyanomethyl-[(3-pentylphenyl)methylsulfonyl]amino]ethanethioamide Openeye Name: 2-[cyanomethyl-[(3-pentylphenyl)methylsulfonyl]amino]thioacetamide CAS Name: 2-[cyanomethyl-[(3-pentylphenyl)methylsulfonyl]amino]ethanethioamide IUPAC Name: 2-[cyanomethyl-[(3-pentylphenyl)methylsulfonyl]amino]ethanethioamide Traditional Name: 2-[(3-amylbenzyl)sulfonyl-(cyanomethyl)amino]thioacetamide Formula: C16H23N3O2S2 MolecularWeight: 353.50272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC=C1)CS(=O)(=O)N(CC#N)CC(=S)N

Isomeric SMILES

CCCCCC1=CC(=CC=C1)CS(=O)(=O)N(CC#N)CC(=S)N

InChI

InChI=1S/C16H23N3O2S2/c1-2-3-4-6-14-7-5-8-15(11-14)13-23(20,21)19(10-9-17)12-16(18)22/h5,7-8,11H,2-4,6,10,12-13H2,1H3,(H2,18,22)