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tert-butyl 1-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]piperidine-4-carboxylate

tert-butyl 1-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name:tert-butyl 1-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]piperidine-4-carboxylate
Openeye Name:tert-butyl 1-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]piperidine-4-carboxylate
CAS Name:1-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid tert-butyl ester
IUPAC Name:tert-butyl 1-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]piperidine-4-carboxylate
Traditional Name:1-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]isonipecotic acid tert-butyl ester
Formula: C18H22N4O4S2
MolecularWeight: 422.52168
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCN(CC1)C(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

CC(C)(C)OC(=O)C1CCN(CC1)C(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C18H22N4O4S2/c1-18(2,3)26-15(23)11-6-8-21(9-7-11)17(27)20-16-19-13-5-4-12(22(24)25)10-14(13)28-16/h4-5,10-11H,6-9H2,1-3H3,(H,19,20,27)


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