tert-butyl 2-azanyl-4-[3-(cyclohexylcarbamothioylamino)propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-azanyl-4-[3-(cyclohexylcarbamothioylamino)propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 2-amino-4-[3-(cyclohexylcarbamothioylamino)propyl]imidazole-1-carboxylate CAS Name: 2-amino-4-[3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]propyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4-[3-(cyclohexylcarbamothioylamino)propyl]imidazole-1-carboxylate Traditional Name: 2-amino-4-[3-(cyclohexylthiocarbamoylamino)propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C18H31N5O2S MolecularWeight: 381.53604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1N)CCCNC(=S)NC2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1N)CCCNC(=S)NC2CCCCC2

InChI

InChI=1S/C18H31N5O2S/c1-18(2,3)25-17(24)23-12-14(21-15(23)19)10-7-11-20-16(26)22-13-8-5-4-6-9-13/h12-13H,4-11H2,1-3H3,(H2,19,21)(H2,20,22,26)