N-(1-adamantylcarbamoyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C23H35N5O2S MolecularWeight: 445.6213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H35N5O2S/c1-14(31-22-27-26-15(2)28(22)19-6-4-3-5-7-19)20(29)24-21(30)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h14,16-19H,3-13H2,1-2H3,(H2,24,25,29,30)