1-[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]-3-(3-methylperoxysulfanylpropyl)urea

Systemtic Name: 1-[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]-3-(3-methylperoxysulfanylpropyl)urea Openeye Name: 1-[4-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-phenyl]-3-(3-methylperoxysulfanylpropyl)urea CAS Name: 3-[[[4-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylanilino]-oxomethyl]amino]-1-propanesulfenic acid IUPAC Name: 1-[4-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]-3-(3-methylperoxysulfanylpropyl)urea Traditional Name: 1-[4-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]-3-[3-(methylperoxythio)propyl]urea Formula: C24H28N4O5S4 MolecularWeight: 580.76292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NCCCSOOC)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NCCCSOOC)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

InChI

InChI=1S/C24H28N4O5S4/c1-15-12-17(28-24(29)27-10-5-11-35-33-32-2)8-9-19(15)16-6-4-7-18(13-16)37(30,31)21-14-20(22(25)26)36-23(21)34-3/h4,6-9,12-14H,5,10-11H2,1-3H3,(H3,25,26)(H2,27,28,29)