N-(tert-butylcarbamoyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H31N5O2S2 MolecularWeight: 449.63314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

InChI

InChI=1S/C21H31N5O2S2/c1-14(18(27)22-19(28)23-21(2,3)4)30-20-25-24-17(13-16-11-8-12-29-16)26(20)15-9-6-5-7-10-15/h8,11-12,14-15H,5-7,9-10,13H2,1-4H3,(H2,22,23,27,28)