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

Systemtic Name: ethyl 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylbenzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylbenzoate Traditional Name: 4-[[4-(2-imidazolin-2-ylamino)phenyl]thio]benzoic acid ethyl ester Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c1-2-23-17(22)13-3-7-15(8-4-13)24-16-9-5-14(6-10-16)21-18-19-11-12-20-18/h3-10H,2,11-12H2,1H3,(H2,19,20,21)