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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: (2-anilino-2-oxo-ethyl) 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 (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 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 (2-anilino-2-keto-ethyl) ester Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3S2/c23-15(19-13-7-3-1-4-8-13)11-25-16(24)12-26-18-22-21-17(27-18)20-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,19,23)(H,20,21)