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

Systemtic Name: 1-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]-3-methylsulfonyl-urea Openeye Name: 1-[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-phenyl]-3-methylsulfonyl-urea CAS Name: 1-[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylphenyl]-3-methylsulfonylurea IUPAC Name: 1-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]-3-methylsulfonylurea Traditional Name: 1-[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]-3-mesyl-urea Formula: C21H22N4O5S4 MolecularWeight: 538.68318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S4/c1-12-6-4-9-15(24-21(26)25-33(3,27)28)18(12)13-7-5-8-14(10-13)34(29,30)17-11-16(19(22)23)32-20(17)31-2/h4-11H,1-3H3,(H3,22,23)(H2,24,25,26)