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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(phenylcarbamoylamino)pentanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(phenylcarbamoylamino)pentanamide CAS Name: 2-[[anilino(oxo)methyl]amino]-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(phenylcarbamoylamino)pentanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(phenylcarbamoylamino)valeramide Formula: C22H23N5O4S MolecularWeight: 453.51412

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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=C4

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O4S/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/h4-11,13,18H,3,12H2,1-2H3,(H2,23,24,29)(H,25,27,28)