tert-butyl 5-(3-ethanoylsulfanylpropylamino)-2-[2-(methylamino)propyl]benzoate

Systemtic Name: tert-butyl 5-(3-ethanoylsulfanylpropylamino)-2-[2-(methylamino)propyl]benzoate Openeye Name: tert-butyl 5-(3-acetylsulfanylpropylamino)-2-[2-(methylamino)propyl]benzoate CAS Name: 5-[3-(acetylthio)propylamino]-2-[2-(methylamino)propyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-(3-acetylsulfanylpropylamino)-2-[2-(methylamino)propyl]benzoate Traditional Name: 5-[3-(acetylthio)propylamino]-2-[2-(methylamino)propyl]benzoic acid tert-butyl ester Formula: C20H32N2O3S MolecularWeight: 380.54468

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=C(C=C1)NCCCSC(=O)C)C(=O)OC(C)(C)C)NC

Isomeric SMILES

CC(CC1=C(C=C(C=C1)NCCCSC(=O)C)C(=O)OC(C)(C)C)NC

InChI

InChI=1S/C20H32N2O3S/c1-14(21-6)12-16-8-9-17(22-10-7-11-26-15(2)23)13-18(16)19(24)25-20(3,4)5/h8-9,13-14,21-22H,7,10-12H2,1-6H3