propan-2-yl 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylbenzoate

Systemtic Name: propan-2-yl 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylbenzoate Openeye Name: isopropyl 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylbenzoate CAS Name: 4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]thio]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylbenzoate Traditional Name: 4-[[4-(2-imidazolin-2-ylamino)phenyl]thio]benzoic acid isopropyl ester Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)NC3=NCCN3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)NC3=NCCN3

InChI

InChI=1S/C19H21N3O2S/c1-13(2)24-18(23)14-3-7-16(8-4-14)25-17-9-5-15(6-10-17)22-19-20-11-12-21-19/h3-10,13H,11-12H2,1-2H3,(H2,20,21,22)