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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[5-(3-methylbutylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-(5-isopentylsulfanyl-1,3,4-thiadiazol-2-yl)urea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[5-(3-methylbutylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[5-(3-methylbutylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[5-(isoamylthio)-1,3,4-thiadiazol-2-yl]urea Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NN=C(S1)NC(=O)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)CCSC1=NN=C(S1)NC(=O)NC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H22N4O3S2/c1-10(2)7-8-24-16-20-19-15(25-16)18-14(21)17-11-5-6-12(22-3)13(9-11)23-4/h5-6,9-10H,7-8H2,1-4H3,(H2,17,18,19,21)