2-bromanyl-N-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]ethanamide

Systemtic Name: 2-bromanyl-N-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]ethanamide Openeye Name: 2-bromo-N-[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-phenyl]acetamide CAS Name: 2-bromo-N-[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylphenyl]acetamide IUPAC Name: 2-bromo-N-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]acetamide Traditional Name: N-[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]-2-bromo-acetamide Formula: C21H20BrN3O3S3 MolecularWeight: 538.5008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O3S3/c1-12-5-3-8-15(25-18(26)11-22)19(12)13-6-4-7-14(9-13)31(27,28)17-10-16(20(23)24)30-21(17)29-2/h3-10H,11H2,1-2H3,(H3,23,24)(H,25,26)