tert-butyl 3-butyl-7-[(5-carbamothioyl-1H-indol-2-yl)carbonylamino]heptanoate

Systemtic Name: tert-butyl 3-butyl-7-[(5-carbamothioyl-1H-indol-2-yl)carbonylamino]heptanoate Openeye Name: tert-butyl 3-butyl-7-[(5-carbamothioyl-1H-indole-2-carbonyl)amino]heptanoate CAS Name: 3-butyl-7-[[(5-carbamothioyl-1H-indol-2-yl)-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-butyl-7-[(5-carbamothioyl-1H-indole-2-carbonyl)amino]heptanoate Traditional Name: 3-butyl-7-[(5-thiocarbamoyl-1H-indole-2-carbonyl)amino]enanthic acid tert-butyl ester Formula: C25H37N3O3S MolecularWeight: 459.64458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=S)N)CC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=S)N)CC(=O)OC(C)(C)C

InChI

InChI=1S/C25H37N3O3S/c1-5-6-9-17(14-22(29)31-25(2,3)4)10-7-8-13-27-24(30)21-16-19-15-18(23(26)32)11-12-20(19)28-21/h11-12,15-17,28H,5-10,13-14H2,1-4H3,(H2,26,32)(H,27,30)