2-[(3-nitrophenyl)methylsulfonyl-(pentoxymethyl)amino]ethanethioamide

Systemtic Name: 2-[(3-nitrophenyl)methylsulfonyl-(pentoxymethyl)amino]ethanethioamide Openeye Name: 2-[(3-nitrophenyl)methylsulfonyl-(pentoxymethyl)amino]thioacetamide CAS Name: 2-[(3-nitrophenyl)methylsulfonyl-(pentoxymethyl)amino]ethanethioamide IUPAC Name: 2-[(3-nitrophenyl)methylsulfonyl-(pentoxymethyl)amino]ethanethioamide Traditional Name: 2-[amoxymethyl-(3-nitrobenzyl)sulfonyl-amino]thioacetamide Formula: C15H23N3O5S2 MolecularWeight: 389.49022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCN(CC(=S)N)S(=O)(=O)CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCOCN(CC(=S)N)S(=O)(=O)CC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O5S2/c1-2-3-4-8-23-12-17(10-15(16)24)25(21,22)11-13-6-5-7-14(9-13)18(19)20/h5-7,9H,2-4,8,10-12H2,1H3,(H2,16,24)