2-(4-chloranylphenoxy)-2-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 2-(4-chlorophenoxy)-2-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 2-(4-chlorophenoxy)-2-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 2-(4-chlorophenoxy)-2-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]propionamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=NN=C(S1)CCCOC2=CC=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)NC1=NN=C(S1)CCCOC2=CC=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O3S/c1-21(2,28-17-12-10-15(22)11-13-17)19(26)23-20-25-24-18(29-20)9-6-14-27-16-7-4-3-5-8-16/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H,23,25,26)