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

Systemtic Name: 2-[(4-carbamimidoylphenyl)carbamoyl]-5-(2-methylpropylcarbamoyl)-3-thiophen-3-yl-benzoic acid Openeye Name: 2-[(4-carbamimidoylphenyl)carbamoyl]-5-(isobutylcarbamoyl)-3-(3-thienyl)benzoic acid CAS Name: 2-[(4-carbamimidoylanilino)-oxomethyl]-5-[(2-methylpropylamino)-oxomethyl]-3-(3-thiophenyl)benzoic acid IUPAC Name: 2-[(4-carbamimidoylphenyl)carbamoyl]-5-(2-methylpropylcarbamoyl)-3-thiophen-3-ylbenzoic acid Traditional Name: 2-[(4-amidinophenyl)carbamoyl]-5-(isobutylcarbamoyl)-3-(3-thienyl)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=CSC=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=CSC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

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