2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methylsulfanylethylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methylsulfanylethylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methylsulfanylethylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[2-(methylthio)ethylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methylsulfanylethylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[2-(methylthio)ethylcarbamoyl]benzoic acid Formula: C25H24N4O4S MolecularWeight: 476.54746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CSCCNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C25H24N4O4S/c1-34-13-12-28-23(30)16-8-11-19(21(14-16)25(32)33)18-4-2-3-5-20(18)24(31)29-17-9-6-15(7-10-17)22(26)27/h2-11,14H,12-13H2,1H3,(H3,26,27)(H,28,30)(H,29,31)(H,32,33)