3-bromanyl-5-methoxy-4-phenylmethoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-bromanyl-5-methoxy-4-phenylmethoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-4-benzyloxy-3-bromo-5-methoxy-benzamide CAS Name: 3-bromo-5-methoxy-4-phenylmethoxy-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-bromo-5-methoxy-4-phenylmethoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-4-benzoxy-3-bromo-5-methoxy-benzamide Formula: C20H18BrN3O3S2 MolecularWeight: 492.40922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NC2=NN=C(S2)SCC=C)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NC2=NN=C(S2)SCC=C)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18BrN3O3S2/c1-3-9-28-20-24-23-19(29-20)22-18(25)14-10-15(21)17(16(11-14)26-2)27-12-13-7-5-4-6-8-13/h3-8,10-11H,1,9,12H2,2H3,(H,22,23,25)