2-[(4-carbamimidoylphenyl)amino]-2-[5-ethyl-2-(2-methylsulfanylethoxy)-3-propyl-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethyl-2-(2-methylsulfanylethoxy)-3-propyl-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-methylsulfanylethoxy)-3-propyl-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-[2-(methylthio)ethoxy]-3-propylphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-methylsulfanylethoxy)-3-propylphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-ethyl-2-[2-(methylthio)ethoxy]-3-propyl-phenyl]acetic acid Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCSC

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCSC

InChI

InChI=1S/C23H31N3O3S/c1-4-6-17-13-15(5-2)14-19(21(17)29-11-12-30-3)20(23(27)28)26-18-9-7-16(8-10-18)22(24)25/h7-10,13-14,20,26H,4-6,11-12H2,1-3H3,(H3,24,25)(H,27,28)