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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=C(C2=CC=CS2)N)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)N=C(C2=CC=CS2)N)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N4O2S/c1-15-14-16(23-19(22)18-6-5-13-28-18)7-8-17(15)24-9-11-25(12-10-24)20(26)27-21(2,3)4/h5-8,13-14H,9-12H2,1-4H3,(H2,22,23)