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

Systemtic Name: tert-butyl 4-[3-[[azanyl(thiophen-2-yl)methylidene]amino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[amino(2-thienyl)methylene]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[amino(2-thienyl)methylene]amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2S/c1-20(2,3)26-19(25)24-11-9-23(10-12-24)16-7-4-6-15(14-16)22-18(21)17-8-5-13-27-17/h4-8,13-14H,9-12H2,1-3H3,(H2,21,22)