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

Systemtic Name: 1-(4-methoxyphenyl)-3-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(4-methoxyphenyl)-3-[5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(4-methoxyphenyl)-3-[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-[5-[(2-keto-2-piperidino-ethyl)thio]-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC(=O)N3CCCCC3

InChI

InChI=1S/C17H21N5O3S2/c1-25-13-7-5-12(6-8-13)18-15(24)19-16-20-21-17(27-16)26-11-14(23)22-9-3-2-4-10-22/h5-8H,2-4,9-11H2,1H3,(H2,18,19,20,24)