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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[5-(2-oxidanylidenepropylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(5-acetonylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)urea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[5-(2-oxopropylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[5-(2-oxopropylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-[5-(acetonylthio)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)urea Formula: C14H16N4O4S2 MolecularWeight: 368.43124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(S1)NC(=O)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)CSC1=NN=C(S1)NC(=O)NC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C14H16N4O4S2/c1-8(19)7-23-14-18-17-13(24-14)16-12(20)15-9-4-5-10(21-2)11(6-9)22-3/h4-6H,7H2,1-3H3,(H2,15,16,17,20)