tert-butyl 7-[(6-carbamothioyl-1H-indazol-3-yl)carbonylamino]heptanoate

Systemtic Name: tert-butyl 7-[(6-carbamothioyl-1H-indazol-3-yl)carbonylamino]heptanoate Openeye Name: tert-butyl 7-[(6-carbamothioyl-1H-indazole-3-carbonyl)amino]heptanoate CAS Name: 7-[[(6-carbamothioyl-1H-indazol-3-yl)-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(6-carbamothioyl-1H-indazole-3-carbonyl)amino]heptanoate Traditional Name: 7-[(6-thiocarbamoyl-1H-indazole-3-carbonyl)amino]enanthic acid tert-butyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=NNC2=C1C=CC(=C2)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=NNC2=C1C=CC(=C2)C(=S)N

InChI

InChI=1S/C20H28N4O3S/c1-20(2,3)27-16(25)8-6-4-5-7-11-22-19(26)17-14-10-9-13(18(21)28)12-15(14)23-24-17/h9-10,12H,4-8,11H2,1-3H3,(H2,21,28)(H,22,26)(H,23,24)