2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-5-methyl-thiophen-3-yl]-5-(methylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-5-methyl-thiophen-3-yl]-5-(methylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylanilino)methyl]-5-methyl-3-thienyl]-5-(methylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)methyl]-5-methyl-3-thiophenyl]-5-(methylcarbamoyl)benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylanilino)methyl]-5-methylthiophen-3-yl]-5-(methylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinoanilino)methyl]-5-methyl-3-thienyl]-5-(methylcarbamoyl)benzoic acid Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)CNC2=CC=C(C=C2)C(=N)N)C3=C(C=C(C=C3)C(=O)NC)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)CNC2=CC=C(C=C2)C(=N)N)C3=C(C=C(C=C3)C(=O)NC)C(=O)O

InChI

InChI=1S/C22H22N4O3S/c1-12-9-17(16-8-5-14(21(27)25-2)10-18(16)22(28)29)19(30-12)11-26-15-6-3-13(4-7-15)20(23)24/h3-10,26H,11H2,1-2H3,(H3,23,24)(H,25,27)(H,28,29)