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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(cyclohexylcarbamoylamino)-3-methyl-pentanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(cyclohexylcarbamoylamino)-3-methyl-pentanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[[(cyclohexylamino)-oxomethyl]amino]-3-methylpentanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(cyclohexylcarbamoylamino)-3-methylpentanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(cyclohexylcarbamoylamino)-3-methyl-valeramide Formula: C22H29N5O4S MolecularWeight: 459.56176

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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)NC4CCCCC4

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)NC4CCCCC4

InChI

InChI=1S/C22H29N5O4S/c1-3-13(2)18(24-21(29)23-15-7-5-4-6-8-15)19(28)25-22-27-26-20(32-22)14-9-10-16-17(11-14)31-12-30-16/h9-11,13,15,18H,3-8,12H2,1-2H3,(H2,23,24,29)(H,25,27,28)