1-(3-oxidanylidene-1-phenyl-pentan-2-yl)-3-[5-(quinolin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(3-oxidanylidene-1-phenyl-pentan-2-yl)-3-[5-(quinolin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(1-benzyl-2-oxo-butyl)-3-[5-(2-quinolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(3-oxo-1-phenylpentan-2-yl)-3-[5-(2-quinolinylmethylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(3-oxo-1-phenylpentan-2-yl)-3-[5-(quinolin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(1-benzyl-2-keto-butyl)-3-[5-(2-quinolylmethylthio)-1,3,4-thiadiazol-2-yl]urea Formula: C24H23N5O2S2 MolecularWeight: 477.60172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC1=CC=CC=C1)NC(=O)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(=O)C(CC1=CC=CC=C1)NC(=O)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H23N5O2S2/c1-2-21(30)20(14-16-8-4-3-5-9-16)26-22(31)27-23-28-29-24(33-23)32-15-18-13-12-17-10-6-7-11-19(17)25-18/h3-13,20H,2,14-15H2,1H3,(H2,26,27,28,31)