N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(propanoylamino)propanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(propanoylamino)propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(propanoylamino)propanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(1-oxopropylamino)-3-phenylpropanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(propanoylamino)propanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-propionamido-propionamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N4O4S/c1-2-18(26)22-15(10-13-6-4-3-5-7-13)19(27)23-21-25-24-20(30-21)14-8-9-16-17(11-14)29-12-28-16/h3-9,11,15H,2,10,12H2,1H3,(H,22,26)(H,23,25,27)