1-[(2S)-4-[3-(4-chloranylphenoxy)azetidin-1-yl]-1-oxidanyl-butan-2-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea

Systemtic Name: 1-[(2S)-4-[3-(4-chloranylphenoxy)azetidin-1-yl]-1-oxidanyl-butan-2-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea Openeye Name: 1-[(1S)-3-[3-(4-chlorophenoxy)azetidin-1-yl]-1-(hydroxymethyl)propyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea CAS Name: 1-[(2S)-4-[3-(4-chlorophenoxy)-1-azetidinyl]-1-hydroxybutan-2-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea IUPAC Name: 1-[(2S)-4-[3-(4-chlorophenoxy)azetidin-1-yl]-1-hydroxybutan-2-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea Traditional Name: 1-[(1S)-3-[3-(4-chlorophenoxy)azetidin-1-yl]-1-methylol-propyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea Formula: C18H24ClN5O3S MolecularWeight: 425.93286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)NC(CCN2CC(C2)OC3=CC=C(C=C3)Cl)CO

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)N[C@@H](CCN2CC(C2)OC3=CC=C(C=C3)Cl)CO

InChI

InChI=1S/C18H24ClN5O3S/c1-2-16-22-23-18(28-16)21-17(26)20-13(11-25)7-8-24-9-15(10-24)27-14-5-3-12(19)4-6-14/h3-6,13,15,25H,2,7-11H2,1H3,(H2,20,21,23,26)/t13-/m0/s1