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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H23N3O3S2/c1-3-4-12-27-17-11-10-16(13-18(17)26-2)19(25)22-20-23-24-21(29-20)28-14-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,23,25)