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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[5-[2-(1-pyrrolidinyl)ethylthio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[5-(2-pyrrolidinoethylthio)-1,3,4-thiadiazol-2-yl]urea Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)SCCN3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)SCCN3CCCC3)OC

InChI

InChI=1S/C17H23N5O3S2/c1-24-13-6-5-12(11-14(13)25-2)18-15(23)19-16-20-21-17(27-16)26-10-9-22-7-3-4-8-22/h5-6,11H,3-4,7-10H2,1-2H3,(H2,18,19,20,23)