1-[1-(tert-butyldiazenyl)cyclohexyl]-3-(4-phenoxybutanoylamino)thiourea

Systemtic Name: 1-[1-(tert-butyldiazenyl)cyclohexyl]-3-(4-phenoxybutanoylamino)thiourea Openeye Name: 1-(1-tert-butylazocyclohexyl)-3-(4-phenoxybutanoylamino)thiourea CAS Name: 1-(1-tert-butylazocyclohexyl)-3-[(1-oxo-4-phenoxybutyl)amino]thiourea IUPAC Name: 1-[1-(tert-butyldiazenyl)cyclohexyl]-3-(4-phenoxybutanoylamino)thiourea Traditional Name: 1-(1-tert-butylazocyclohexyl)-3-(4-phenoxybutanoylamino)thiourea Formula: C21H33N5O2S MolecularWeight: 419.58402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=NC1(CCCCC1)NC(=S)NNC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)N=NC1(CCCCC1)NC(=S)NNC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C21H33N5O2S/c1-20(2,3)25-26-21(14-8-5-9-15-21)22-19(29)24-23-18(27)13-10-16-28-17-11-6-4-7-12-17/h4,6-7,11-12H,5,8-10,13-16H2,1-3H3,(H,23,27)(H2,22,24,29)