[4-(tert-butyldiazenyl)-4-(propan-2-ylcarbamothioylamino)pentyl] benzoate

Systemtic Name: [4-(tert-butyldiazenyl)-4-(propan-2-ylcarbamothioylamino)pentyl] benzoate Openeye Name: [4-tert-butylazo-4-(isopropylcarbamothioylamino)pentyl] benzoate CAS Name: benzoic acid [4-tert-butylazo-4-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]pentyl] ester IUPAC Name: [4-(tert-butyldiazenyl)-4-(propan-2-ylcarbamothioylamino)pentyl] benzoate Traditional Name: benzoic acid [4-tert-butylazo-4-(isopropylthiocarbamoylamino)pentyl] ester Formula: C20H32N4O2S MolecularWeight: 392.55868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NC(C)(CCCOC(=O)C1=CC=CC=C1)N=NC(C)(C)C

Isomeric SMILES

CC(C)NC(=S)NC(C)(CCCOC(=O)C1=CC=CC=C1)N=NC(C)(C)C

InChI

InChI=1S/C20H32N4O2S/c1-15(2)21-18(27)22-20(6,24-23-19(3,4)5)13-10-14-26-17(25)16-11-8-7-9-12-16/h7-9,11-12,15H,10,13-14H2,1-6H3,(H2,21,22,27)