S-[2-[3-(tert-butylcarbamoylhydrazinylidene)butylamino]ethyl] benzenecarbothioate; 4-methylbenzenesulfonic acid

Systemtic Name: S-[2-[3-(tert-butylcarbamoylhydrazinylidene)butylamino]ethyl] benzenecarbothioate; 4-methylbenzenesulfonic acid Openeye Name: S-[2-[3-(tert-butylcarbamoylhydrazono)butylamino]ethyl] benzenecarbothioate; 4-methylbenzenesulfonic acid CAS Name: benzenecarbothioic acid S-[2-[3-[[(tert-butylamino)-oxomethyl]hydrazinylidene]butylamino]ethyl] ester; 4-methylbenzenesulfonic acid IUPAC Name: S-[2-[3-(tert-butylcarbamoylhydrazinylidene)butylamino]ethyl] benzenecarbothioate; 4-methylbenzenesulfonic acid Traditional Name: thiobenzoic acid S-[2-[3-(tert-butylcarbamoylhydrazono)butylamino]ethyl] ester; tosylic acid Formula: C25H36N4O5S2 MolecularWeight: 536.70714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=NNC(=O)NC(C)(C)C)CCNCCSC(=O)C1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=NNC(=O)NC(C)(C)C)CCNCCSC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H28N4O2S.C7H8O3S/c1-14(21-22-17(24)20-18(2,3)4)10-11-19-12-13-25-16(23)15-8-6-5-7-9-15;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,19H,10-13H2,1-4H3,(H2,20,22,24);2-5H,1H3,(H,8,9,10)