3-methoxy-4-(2-methylpropoxy)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-methoxy-4-(2-methylpropoxy)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-isobutoxy-3-methoxy-benzamide CAS Name: 3-methoxy-4-(2-methylpropoxy)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-isobutoxy-3-methoxy-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H23N3O3S2/c1-14(2)12-27-17-10-9-16(11-18(17)26-3)19(25)22-20-23-24-21(29-20)28-13-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3,(H,22,23,25)