[4-(tert-butyldiazenyl)-5,5,5-tris(chloranyl)-4-(ethylcarbamothioylamino)pentyl] ethanoate

Systemtic Name: [4-(tert-butyldiazenyl)-5,5,5-tris(chloranyl)-4-(ethylcarbamothioylamino)pentyl] ethanoate Openeye Name: [4-tert-butylazo-5,5,5-trichloro-4-(ethylcarbamothioylamino)pentyl] acetate CAS Name: acetic acid [4-tert-butylazo-5,5,5-trichloro-4-[[ethylamino(sulfanylidene)methyl]amino]pentyl] ester IUPAC Name: [4-(tert-butyldiazenyl)-5,5,5-trichloro-4-(ethylcarbamothioylamino)pentyl] acetate Traditional Name: acetic acid [4-tert-butylazo-5,5,5-trichloro-4-(ethylthiocarbamoylamino)pentyl] ester Formula: C14H25Cl3N4O2S MolecularWeight: 419.7979

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC(CCCOC(=O)C)(C(Cl)(Cl)Cl)N=NC(C)(C)C

Isomeric SMILES

CCNC(=S)NC(CCCOC(=O)C)(C(Cl)(Cl)Cl)N=NC(C)(C)C

InChI

InChI=1S/C14H25Cl3N4O2S/c1-6-18-11(24)19-13(14(15,16)17,21-20-12(3,4)5)8-7-9-23-10(2)22/h6-9H2,1-5H3,(H2,18,19,24)