S-(propan-2-ylamino) N-[[1-(2-phenylpropan-2-yldiazenyl)cyclohexyl]carbamothioylamino]carbamothioate

Systemtic Name: S-(propan-2-ylamino) N-[[1-(2-phenylpropan-2-yldiazenyl)cyclohexyl]carbamothioylamino]carbamothioate Openeye Name: S-(isopropylamino) N-[[1-(1-methyl-1-phenyl-ethyl)azocyclohexyl]carbamothioylamino]carbamothioate CAS Name: N-[[[[1-(2-phenylpropan-2-ylazo)cyclohexyl]amino]-sulfanylidenemethyl]amino]carbamothioic acid S-(propan-2-ylamino) ester IUPAC Name: S-(propan-2-ylamino) N-[[1-(2-phenylpropan-2-yldiazenyl)cyclohexyl]carbamothioylamino]carbamothioate Traditional Name: N-[(1-cumylazocyclohexyl)thiocarbamoylamino]thiocarbamic acid S-(isopropylamino) ester Formula: C20H32N6OS2 MolecularWeight: 436.63768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NSC(=O)NNC(=S)NC1(CCCCC1)N=NC(C)(C)C2=CC=CC=C2

Isomeric SMILES

CC(C)NSC(=O)NNC(=S)NC1(CCCCC1)N=NC(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C20H32N6OS2/c1-15(2)24-29-18(27)23-22-17(28)21-20(13-9-6-10-14-20)26-25-19(3,4)16-11-7-5-8-12-16/h5,7-8,11-12,15,24H,6,9-10,13-14H2,1-4H3,(H,23,27)(H2,21,22,28)