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

Systemtic Name: (4-ethanoylphenyl) 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: (4-acetylphenyl) 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 (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 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 (4-acetylphenyl) ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)CSC2=NN=C(S2)NC3CCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)CSC2=NN=C(S2)NC3CCCCC3

InChI

InChI=1S/C18H21N3O3S2/c1-12(22)13-7-9-15(10-8-13)24-16(23)11-25-18-21-20-17(26-18)19-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,19,20)