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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(2-methylphenyl)carbamoylamino]pentanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(o-tolylcarbamoylamino)pentanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[(2-methylanilino)-oxomethyl]amino]pentanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(2-methylphenyl)carbamoylamino]pentanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(o-tolylcarbamoylamino)valeramide Formula: C23H25N5O4S MolecularWeight: 467.5407

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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)NC4=CC=CC=C4C

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C23H25N5O4S/c1-4-13(2)19(25-22(30)24-16-8-6-5-7-14(16)3)20(29)26-23-28-27-21(33-23)15-9-10-17-18(11-15)32-12-31-17/h5-11,13,19H,4,12H2,1-3H3,(H2,24,25,30)(H,26,28,29)