[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-5-(4-methylsulfonylbutylcarbamoylamino)phenyl]carbamic acid

Systemtic Name: [4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-5-(4-methylsulfonylbutylcarbamoylamino)phenyl]carbamic acid Openeye Name: [4-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-5-(4-methylsulfonylbutylcarbamoylamino)phenyl]carbamic acid CAS Name: [4-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methyl-5-[[(4-methylsulfonylbutylamino)-oxomethyl]amino]phenyl]carbamic acid IUPAC Name: [4-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methyl-5-(4-methylsulfonylbutylcarbamoylamino)phenyl]carbamic acid Traditional Name: [4-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-(4-mesylbutylcarbamoylamino)-5-methyl-phenyl]carbamic acid Formula: C26H31N5O7S4 MolecularWeight: 653.81364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)NC(=O)NCCCCS(=O)(=O)C)NC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)NC(=O)NCCCCS(=O)(=O)C)NC(=O)O

InChI

InChI=1S/C26H31N5O7S4/c1-15-11-17(30-26(33)34)13-19(31-25(32)29-9-4-5-10-41(3,35)36)22(15)16-7-6-8-18(12-16)42(37,38)21-14-20(23(27)28)40-24(21)39-2/h6-8,11-14,30H,4-5,9-10H2,1-3H3,(H3,27,28)(H,33,34)(H2,29,31,32)