tert-butyl 4-[[3-[[azanyl(thiophen-2-yl)methylidene]amino]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-[[azanyl(thiophen-2-yl)methylidene]amino]phenyl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[3-[[amino(2-thienyl)methylene]amino]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[amino(2-thienyl)methylene]amino]benzyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)N=C(C3=CC=CS3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)N=C(C3=CC=CS3)N

InChI

InChI=1S/C21H28N4O2S/c1-21(2,3)27-20(26)25-11-9-24(10-12-25)15-16-6-4-7-17(14-16)23-19(22)18-8-5-13-28-18/h4-8,13-14H,9-12,15H2,1-3H3,(H2,22,23)