2-[2-[(4-carbamimidoylphenyl)carbamoyl]thiophen-3-yl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]thiophen-3-yl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-thienyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-3-thiophenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]thiophen-3-yl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-3-thienyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(SC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(SC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C24H24N4O4S/c1-13(2)12-27-22(29)15-5-8-17(19(11-15)24(31)32)18-9-10-33-20(18)23(30)28-16-6-3-14(4-7-16)21(25)26/h3-11,13H,12H2,1-2H3,(H3,25,26)(H,27,29)(H,28,30)(H,31,32)