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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-thiophen-3-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-3-thienyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-5-methyl-3-thiophenyl]-5-[(2,2-dimethylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methylthiophen-3-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-5-methyl-3-thienyl]-5-(neopentylcarbamoyl)benzoic acid Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C(=O)NC2=CC=C(C=C2)C(=N)N)C3=C(C=C(C=C3)C(=O)NCC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C(=O)NC2=CC=C(C=C2)C(=N)N)C3=C(C=C(C=C3)C(=O)NCC(C)(C)C)C(=O)O

InChI

InChI=1S/C26H28N4O4S/c1-14-11-19(21(35-14)24(32)30-17-8-5-15(6-9-17)22(27)28)18-10-7-16(12-20(18)25(33)34)23(31)29-13-26(2,3)4/h5-12H,13H2,1-4H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)