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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]thiophen-3-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-thienyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-3-thiophenyl]-5-[(2,2-dimethylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]thiophen-3-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-3-thienyl]-5-(neopentylcarbamoyl)benzoic acid Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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)(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/C25H26N4O4S/c1-25(2,3)13-28-22(30)15-6-9-17(19(12-15)24(32)33)18-10-11-34-20(18)23(31)29-16-7-4-14(5-8-16)21(26)27/h4-12H,13H2,1-3H3,(H3,26,27)(H,28,30)(H,29,31)(H,32,33)