2-[2-[[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanamide

Systemtic Name: 2-[2-[[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanamide Openeye Name: 2-[2-[4-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-anilino]-2-oxo-ethyl]sulfanylacetamide CAS Name: 2-[[2-[4-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylanilino]-2-oxoethyl]thio]acetamide IUPAC Name: 2-[2-[4-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylanilino]-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-[4-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-anilino]-2-keto-ethyl]thio]acetamide Formula: C23H24N4O4S4 MolecularWeight: 548.72106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O4S4/c1-13-8-15(27-21(29)12-33-11-20(24)28)6-7-17(13)14-4-3-5-16(9-14)35(30,31)19-10-18(22(25)26)34-23(19)32-2/h3-10H,11-12H2,1-2H3,(H2,24,28)(H3,25,26)(H,27,29)