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

Systemtic Name: 3-methoxy-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-(thiazol-4-ylmethoxy)benzamide CAS Name: 3-methoxy-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-(4-thiazolylmethoxy)benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-methoxy-4-(thiazol-4-ylmethoxy)benzamide Formula: C21H18N4O3S3 MolecularWeight: 470.58762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)OCC4=CSC=N4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)OCC4=CSC=N4

InChI

InChI=1S/C21H18N4O3S3/c1-27-18-9-15(7-8-17(18)28-10-16-12-29-13-22-16)19(26)23-20-24-25-21(31-20)30-11-14-5-3-2-4-6-14/h2-9,12-13H,10-11H2,1H3,(H,23,24,26)