2-(1-adamantylcarbamoylamino)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide

Systemtic Name: 2-(1-adamantylcarbamoylamino)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide Openeye Name: 2-(1-adamantylcarbamoylamino)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]amino]-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide IUPAC Name: 2-(1-adamantylcarbamoylamino)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide Traditional Name: 2-(1-adamantylcarbamoylamino)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-valeramide Formula: C26H33N5O4S MolecularWeight: 511.63632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H33N5O4S/c1-3-14(2)21(27-24(33)29-26-10-15-6-16(11-26)8-17(7-15)12-26)22(32)28-25-31-30-23(36-25)18-4-5-19-20(9-18)35-13-34-19/h4-5,9,14-17,21H,3,6-8,10-13H2,1-2H3,(H2,27,29,33)(H,28,31,32)