2-[(4-carbamimidoylphenyl)amino]-2-(3-methylsulfanyl-4-propan-2-yloxy-phenyl)ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-methylsulfanyl-4-propan-2-yloxy-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(4-isopropoxy-3-methylsulfanyl-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-(methylthio)-4-propan-2-yloxyphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-methylsulfanyl-4-propan-2-yloxyphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[4-isopropoxy-3-(methylthio)phenyl]acetic acid Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)SC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)SC

InChI

InChI=1S/C19H23N3O3S/c1-11(2)25-15-9-6-13(10-16(15)26-3)17(19(23)24)22-14-7-4-12(5-8-14)18(20)21/h4-11,17,22H,1-3H3,(H3,20,21)(H,23,24)