1-(3,4-dimethylphenyl)-3-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(3,4-dimethylphenyl)-3-[5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(3,4-dimethylphenyl)-3-[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(3,4-dimethylphenyl)-3-[5-[(2-keto-2-piperidino-ethyl)thio]-1,3,4-thiadiazol-2-yl]urea Formula: C18H23N5O2S2 MolecularWeight: 405.53752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)SCC(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)SCC(=O)N3CCCCC3)C

InChI

InChI=1S/C18H23N5O2S2/c1-12-6-7-14(10-13(12)2)19-16(25)20-17-21-22-18(27-17)26-11-15(24)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9,11H2,1-2H3,(H2,19,20,21,25)