2-(2,3-dimethylphenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 2-(2,3-dimethylphenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 2-(2,3-dimethylphenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 2-(2,3-dimethylphenoxy)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 2-(2,3-dimethylphenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 2-(2,3-dimethylphenoxy)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC(C)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC(C)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O3S2/c1-13-8-7-11-18(14(13)2)27-15(3)19(26)22-20-23-24-21(29-20)28-12-17(25)16-9-5-4-6-10-16/h4-11,15H,12H2,1-3H3,(H,22,23,26)