phenacyl 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: phenacyl 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: phenacyl 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid phenacyl ester IUPAC Name: phenacyl 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid phenacyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S2/c22-15(13-7-3-1-4-8-13)11-24-16(23)12-25-18-21-20-17(26-18)19-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,19,20)