3-[4-[6-[ethyl(phenylcarbamothioyl)amino]pyridin-2-yl]-3-propoxy-phenyl]propanoic acid

Systemtic Name: 3-[4-[6-[ethyl(phenylcarbamothioyl)amino]pyridin-2-yl]-3-propoxy-phenyl]propanoic acid Openeye Name: 3-[4-[6-[ethyl(phenylcarbamothioyl)amino]-2-pyridyl]-3-propoxy-phenyl]propanoic acid CAS Name: 3-[4-[6-[[anilino(sulfanylidene)methyl]-ethylamino]-2-pyridinyl]-3-propoxyphenyl]propanoic acid IUPAC Name: 3-[4-[6-[ethyl(phenylcarbamothioyl)amino]pyridin-2-yl]-3-propoxyphenyl]propanoic acid Traditional Name: 3-[4-[6-[ethyl(phenylthiocarbamoyl)amino]-2-pyridyl]-3-propoxy-phenyl]propionic acid Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)CCC(=O)O)C2=NC(=CC=C2)N(CC)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=CC(=C1)CCC(=O)O)C2=NC(=CC=C2)N(CC)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O3S/c1-3-17-32-23-18-19(14-16-25(30)31)13-15-21(23)22-11-8-12-24(28-22)29(4-2)26(33)27-20-9-6-5-7-10-20/h5-13,15,18H,3-4,14,16-17H2,1-2H3,(H,27,33)(H,30,31)