1-ethyl-3-[5-(isoquinolin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-urea

Systemtic Name: 1-ethyl-3-[5-(isoquinolin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-urea Openeye Name: 1-ethyl-3-[5-(3-isoquinolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-urea CAS Name: 1-ethyl-3-[5-(3-isoquinolinylmethylthio)-1,3,4-thiadiazol-2-yl]-1,3-dimethylurea IUPAC Name: 1-ethyl-3-[5-(isoquinolin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethylurea Traditional Name: 1-ethyl-3-[5-(3-isoquinolylmethylthio)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-urea Formula: C17H19N5OS2 MolecularWeight: 373.49566

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)N(C)C1=NN=C(S1)SCC2=CC3=CC=CC=C3C=N2

Isomeric SMILES

CCN(C)C(=O)N(C)C1=NN=C(S1)SCC2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C17H19N5OS2/c1-4-21(2)17(23)22(3)15-19-20-16(25-15)24-11-14-9-12-7-5-6-8-13(12)10-18-14/h5-10H,4,11H2,1-3H3