[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methyl morpholine-4-carboxylate

Systemtic Name: [4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methyl morpholine-4-carboxylate Openeye Name: [4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methyl morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]thio]phenyl]methyl ester IUPAC Name: [4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methyl morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [4-[[4-(2-imidazolin-2-ylamino)phenyl]thio]benzyl] ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC=C(C=C2)SC3=CC=C(C=C3)COC(=O)N4CCOCC4

Isomeric SMILES

C1CN=C(N1)NC2=CC=C(C=C2)SC3=CC=C(C=C3)COC(=O)N4CCOCC4

InChI

InChI=1S/C21H24N4O3S/c26-21(25-11-13-27-14-12-25)28-15-16-1-5-18(6-2-16)29-19-7-3-17(4-8-19)24-20-22-9-10-23-20/h1-8H,9-15H2,(H2,22,23,24)