1-[2,6-bis(methylsulfanyl)phenyl]sulfonyl-3-butyl-urea

Systemtic Name: 1-[2,6-bis(methylsulfanyl)phenyl]sulfonyl-3-butyl-urea Openeye Name: 1-[2,6-bis(methylsulfanyl)phenyl]sulfonyl-3-butyl-urea CAS Name: 1-[2,6-bis(methylthio)phenyl]sulfonyl-3-butylurea IUPAC Name: 1-[2,6-bis(methylsulfanyl)phenyl]sulfonyl-3-butylurea Traditional Name: 1-[2,6-bis(methylthio)phenyl]sulfonyl-3-butyl-urea Formula: C13H20N2O3S3 MolecularWeight: 348.5045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=C(C=CC=C1SC)SC

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=C(C=CC=C1SC)SC

InChI

InChI=1S/C13H20N2O3S3/c1-4-5-9-14-13(16)15-21(17,18)12-10(19-2)7-6-8-11(12)20-3/h6-8H,4-5,9H2,1-3H3,(H2,14,15,16)