ethyl 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]propanoate

Systemtic Name: ethyl 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]propanoate Openeye Name: ethyl 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]propanoate CAS Name: 3-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]thio]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]propanoate Traditional Name: 3-[4-[[4-(2-imidazolin-2-ylamino)phenyl]thio]phenyl]propionic acid ethyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=C(C=C1)SC2=CC=C(C=C2)NC3=NCCN3

Isomeric SMILES

CCOC(=O)CCC1=CC=C(C=C1)SC2=CC=C(C=C2)NC3=NCCN3

InChI

InChI=1S/C20H23N3O2S/c1-2-25-19(24)12-5-15-3-8-17(9-4-15)26-18-10-6-16(7-11-18)23-20-21-13-14-22-20/h3-4,6-11H,2,5,12-14H2,1H3,(H2,21,22,23)