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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(5-p-cumenyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O3S/c1-13(2)15-5-7-16(8-6-15)20-23-24-21(28-20)22-19(25)10-4-14-3-9-17-18(11-14)27-12-26-17/h3,5-9,11,13H,4,10,12H2,1-2H3,(H,22,24,25)