S-[3-[2-(2,2-dimethylpropanoylsulfanyl)ethylamino]-2-(2-methylpropanoylamino)-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[3-[2-(2,2-dimethylpropanoylsulfanyl)ethylamino]-2-(2-methylpropanoylamino)-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[3-[2-(2,2-dimethylpropanoylsulfanyl)ethylamino]-2-(2-methylpropanoylamino)-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[2-[(2,2-dimethyl-1-oxopropyl)thio]ethylamino]-2-[(2-methyl-1-oxopropyl)amino]-3-oxopropyl] ester IUPAC Name: S-[3-[2-(2,2-dimethylpropanoylsulfanyl)ethylamino]-2-(2-methylpropanoylamino)-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-(isobutyrylamino)-3-keto-3-[2-(pivaloylthio)ethylamino]propyl] ester Formula: C21H30N2O4S2 MolecularWeight: 438.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CSC(=O)C1=CC=CC=C1)C(=O)NCCSC(=O)C(C)(C)C

Isomeric SMILES

CC(C)C(=O)NC(CSC(=O)C1=CC=CC=C1)C(=O)NCCSC(=O)C(C)(C)C

InChI

InChI=1S/C21H30N2O4S2/c1-14(2)17(24)23-16(13-29-19(26)15-9-7-6-8-10-15)18(25)22-11-12-28-20(27)21(3,4)5/h6-10,14,16H,11-13H2,1-5H3,(H,22,25)(H,23,24)