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

Systemtic Name: 4-pentoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-pentoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-pentoxy-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-pentoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-amoxy-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S2/c1-2-3-7-14-28-18-12-10-17(11-13-18)20(27)23-21-24-25-22(30-21)29-15-19(26)16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14-15H2,1H3,(H,23,24,27)