2-[2-[(4-carbamimidoylphenyl)sulfanylmethyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)sulfanylmethyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)sulfanylmethyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[[(4-carbamimidoylphenyl)thio]methyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)sulfanylmethyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[[(4-amidinophenyl)thio]methyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2CSC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2CSC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C26H27N3O3S/c1-16(2)14-29-25(30)18-9-12-22(23(13-18)26(31)32)21-6-4-3-5-19(21)15-33-20-10-7-17(8-11-20)24(27)28/h3-13,16H,14-15H2,1-2H3,(H3,27,28)(H,29,30)(H,31,32)