tert-butyl 7-[2-[(3-carbamothioylphenyl)amino]ethanoylamino]heptanoate

Systemtic Name: tert-butyl 7-[2-[(3-carbamothioylphenyl)amino]ethanoylamino]heptanoate Openeye Name: tert-butyl 7-[[2-(3-carbamothioylanilino)acetyl]amino]heptanoate CAS Name: 7-[[2-(3-carbamothioylanilino)-1-oxoethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[2-(3-carbamothioylanilino)acetyl]amino]heptanoate Traditional Name: 7-[[2-(3-thiocarbamoylanilino)acetyl]amino]enanthic acid tert-butyl ester Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)CNC1=CC=CC(=C1)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)CNC1=CC=CC(=C1)C(=S)N

InChI

InChI=1S/C20H31N3O3S/c1-20(2,3)26-18(25)11-6-4-5-7-12-22-17(24)14-23-16-10-8-9-15(13-16)19(21)27/h8-10,13,23H,4-7,11-12,14H2,1-3H3,(H2,21,27)(H,22,24)