tert-butyl 4-[5-[(4-chloranyl-1-benzothiophen-2-yl)carbonylamino]pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[(4-chloranyl-1-benzothiophen-2-yl)carbonylamino]pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-[(4-chlorobenzothiophene-2-carbonyl)amino]-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-[[(4-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[(4-chloro-1-benzothiophene-2-carbonyl)amino]pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[(4-chlorobenzothiophene-2-carbonyl)amino]-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H25ClN4O3S MolecularWeight: 472.9876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C23H25ClN4O3S/c1-23(2,3)31-22(30)28-11-9-27(10-12-28)20-8-7-15(14-25-20)26-21(29)19-13-16-17(24)5-4-6-18(16)32-19/h4-8,13-14H,9-12H2,1-3H3,(H,26,29)