2-[(3-tert-butylphenyl)methylsulfonyl-[4-(oxiran-2-yl)butyl]amino]ethanethioamide

Systemtic Name: 2-[(3-tert-butylphenyl)methylsulfonyl-[4-(oxiran-2-yl)butyl]amino]ethanethioamide Openeye Name: 2-[(3-tert-butylphenyl)methylsulfonyl-[4-(oxiran-2-yl)butyl]amino]thioacetamide CAS Name: 2-[(3-tert-butylphenyl)methylsulfonyl-[4-(2-oxiranyl)butyl]amino]ethanethioamide IUPAC Name: 2-[(3-tert-butylphenyl)methylsulfonyl-[4-(oxiran-2-yl)butyl]amino]ethanethioamide Traditional Name: 2-[(3-tert-butylbenzyl)sulfonyl-[4-(oxiran-2-yl)butyl]amino]thioacetamide Formula: C19H30N2O3S2 MolecularWeight: 398.5831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1)CS(=O)(=O)N(CCCCC2CO2)CC(=S)N

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1)CS(=O)(=O)N(CCCCC2CO2)CC(=S)N

InChI

InChI=1S/C19H30N2O3S2/c1-19(2,3)16-8-6-7-15(11-16)14-26(22,23)21(12-18(20)25)10-5-4-9-17-13-24-17/h6-8,11,17H,4-5,9-10,12-14H2,1-3H3,(H2,20,25)