O-(phenylmethyl) N-[2-(butan-2-yldiazenyl)butan-2-ylcarbamothioylamino]carbamothioate

Systemtic Name: O-(phenylmethyl) N-[2-(butan-2-yldiazenyl)butan-2-ylcarbamothioylamino]carbamothioate Openeye Name: O-benzyl N-[(1-methyl-1-sec-butylazo-propyl)carbamothioylamino]carbamothioate CAS Name: N-[[(2-butan-2-ylazobutan-2-ylamino)-sulfanylidenemethyl]amino]carbamothioic acid O-(phenylmethyl) ester IUPAC Name: O-benzyl N-[2-(butan-2-yldiazenyl)butan-2-ylcarbamothioylamino]carbamothioate Traditional Name: N-[(1-methyl-1-sec-butylazo-propyl)thiocarbamoylamino]thiocarbamic acid O-benzyl ester Formula: C17H27N5OS2 MolecularWeight: 381.55918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=NC(C)(CC)NC(=S)NNC(=S)OCC1=CC=CC=C1

Isomeric SMILES

CCC(C)N=NC(C)(CC)NC(=S)NNC(=S)OCC1=CC=CC=C1

InChI

InChI=1S/C17H27N5OS2/c1-5-13(3)19-22-17(4,6-2)18-15(24)20-21-16(25)23-12-14-10-8-7-9-11-14/h7-11,13H,5-6,12H2,1-4H3,(H,21,25)(H2,18,20,24)