1-(3,4-dimethoxyphenyl)-3-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)urea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)urea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)urea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[5-(phenethylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)urea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[5-(phenethylthio)-1,3,4-thiadiazol-2-yl]urea Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)SCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)SCCC3=CC=CC=C3)OC

InChI

InChI=1S/C19H20N4O3S2/c1-25-15-9-8-14(12-16(15)26-2)20-17(24)21-18-22-23-19(28-18)27-11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,20,21,22,24)