N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)C4CCCCC4

InChI

InChI=1S/C21H25N5O4S/c1-2-10-26-19(14-6-4-3-5-7-14)24-25-21(26)31-12-18(27)23-20(28)22-15-8-9-16-17(11-15)30-13-29-16/h2,8-9,11,14H,1,3-7,10,12-13H2,(H2,22,23,27,28)