2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)acetamide CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)acetamide Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC(=O)NCC2COC3=CC=CC=C3O2)C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC(=O)NCC2COC3=CC=CC=C3O2)C4CCCCC4

InChI

InChI=1S/C23H29N5O4S/c1-2-12-28-21(16-8-4-3-5-9-16)26-27-23(28)33-15-20(29)25-22(30)24-13-17-14-31-18-10-6-7-11-19(18)32-17/h2,6-7,10-11,16-17H,1,3-5,8-9,12-15H2,(H2,24,25,29,30)