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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: (2-amino-2-oxo-1-phenyl-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-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 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-amino-2-keto-1-phenyl-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)OC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S2/c19-16(24)15(12-7-3-1-4-8-12)25-14(23)11-26-18-22-21-17(27-18)20-13-9-5-2-6-10-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2,(H2,19,24)(H,20,21)