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

Systemtic Name: tert-butyl 7-[(5-carbamothioyl-1H-indol-3-yl)carbonylamino]heptanoate Openeye Name: tert-butyl 7-[(5-carbamothioyl-1H-indole-3-carbonyl)amino]heptanoate CAS Name: 7-[[(5-carbamothioyl-1H-indol-3-yl)-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(5-carbamothioyl-1H-indole-3-carbonyl)amino]heptanoate Traditional Name: 7-[(5-thiocarbamoyl-1H-indole-3-carbonyl)amino]enanthic acid tert-butyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=CNC2=C1C=C(C=C2)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=CNC2=C1C=C(C=C2)C(=S)N

InChI

InChI=1S/C21H29N3O3S/c1-21(2,3)27-18(25)8-6-4-5-7-11-23-20(26)16-13-24-17-10-9-14(19(22)28)12-15(16)17/h9-10,12-13,24H,4-8,11H2,1-3H3,(H2,22,28)(H,23,26)