1-(3,4-dimethoxyphenyl)-3-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)urea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)urea Traditional Name: 1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)urea Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S2/c1-24-14-9-8-13(10-15(14)25-2)19-16(23)20-17-21-22-18(27-17)26-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,19,20,21,23)