ethyl 2-[4-cyclohexyl-5-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-cyclohexyl-5-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-cyclohexyl-5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-cyclohexyl-5-[[2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-cyclohexyl-5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-cyclohexyl-5-[[2-keto-2-(propylcarbamoylamino)ethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C18H29N5O4S MolecularWeight: 411.51896

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=NN=C(N1C2CCCCC2)CC(=O)OCC

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=NN=C(N1C2CCCCC2)CC(=O)OCC

InChI

InChI=1S/C18H29N5O4S/c1-3-10-19-17(26)20-15(24)12-28-18-22-21-14(11-16(25)27-4-2)23(18)13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H2,19,20,24,26)