ethyl 2-[2-[[2-(diethylcarbamothioylsulfanyl)-2-phenyl-ethanoyl]amino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[[2-(diethylcarbamothioylsulfanyl)-2-phenyl-ethanoyl]amino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-(diethylcarbamothioylsulfanyl)-2-phenyl-acetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-[[diethylamino(sulfanylidene)methyl]thio]-1-oxo-2-phenylethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-(diethylcarbamothioylsulfanyl)-2-phenylacetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-(diethylthiocarbamoylthio)-2-phenyl-acetyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C20H25N3O3S3 MolecularWeight: 451.6258

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC(C1=CC=CC=C1)C(=O)NC2=NC(=CS2)CC(=O)OCC

Isomeric SMILES

CCN(CC)C(=S)SC(C1=CC=CC=C1)C(=O)NC2=NC(=CS2)CC(=O)OCC

InChI

InChI=1S/C20H25N3O3S3/c1-4-23(5-2)20(27)29-17(14-10-8-7-9-11-14)18(25)22-19-21-15(13-28-19)12-16(24)26-6-3/h7-11,13,17H,4-6,12H2,1-3H3,(H,21,22,25)