4-(2-methylpropoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S2/c1-14(2)12-27-17-10-8-16(9-11-17)19(26)22-20-23-24-21(29-20)28-13-18(25)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,22,23,26)