S-cyclohexyl N-[[1-[(1-cyano-1-phenyl-ethyl)diazenyl]-1-phenyl-ethyl]carbamoylamino]carbamothioate

Systemtic Name: S-cyclohexyl N-[[1-[(1-cyano-1-phenyl-ethyl)diazenyl]-1-phenyl-ethyl]carbamoylamino]carbamothioate Openeye Name: S-cyclohexyl N-[[1-(1-cyano-1-phenyl-ethyl)azo-1-phenyl-ethyl]carbamoylamino]carbamothioate CAS Name: N-[[[[1-(1-cyano-1-phenylethyl)azo-1-phenylethyl]amino]-oxomethyl]amino]carbamothioic acid S-cyclohexyl ester IUPAC Name: S-cyclohexyl N-[[1-[(1-cyano-1-phenylethyl)diazenyl]-1-phenylethyl]carbamoylamino]carbamothioate Traditional Name: N-[[1-(1-cyano-1-phenyl-ethyl)azo-1-phenyl-ethyl]carbamoylamino]thiocarbamic acid S-cyclohexyl ester Formula: C25H30N6O2S MolecularWeight: 478.6097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC=CC=C1)N=NC(C)(C2=CC=CC=C2)NC(=O)NNC(=O)SC3CCCCC3

Isomeric SMILES

CC(C#N)(C1=CC=CC=C1)N=NC(C)(C2=CC=CC=C2)NC(=O)NNC(=O)SC3CCCCC3

InChI

InChI=1S/C25H30N6O2S/c1-24(18-26,19-12-6-3-7-13-19)30-31-25(2,20-14-8-4-9-15-20)27-22(32)28-29-23(33)34-21-16-10-5-11-17-21/h3-4,6-9,12-15,21H,5,10-11,16-17H2,1-2H3,(H,29,33)(H2,27,28,32)