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

Systemtic Name: 1-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]-3-phenethyl-urea Openeye Name: 1-[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-phenyl]-3-phenethyl-urea CAS Name: 1-[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylphenyl]-3-phenethylurea IUPAC Name: 1-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]-3-phenethylurea Traditional Name: 1-[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]-3-phenethyl-urea Formula: C28H28N4O3S3 MolecularWeight: 564.74192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NCCC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NCCC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC

InChI

InChI=1S/C28H28N4O3S3/c1-18-8-6-13-22(32-28(33)31-15-14-19-9-4-3-5-10-19)25(18)20-11-7-12-21(16-20)38(34,35)24-17-23(26(29)30)37-27(24)36-2/h3-13,16-17H,14-15H2,1-2H3,(H3,29,30)(H2,31,32,33)