ethyl 4-[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[2-(dimethylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)N(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)N(C)C

InChI

InChI=1S/C18H25N3O4S/c1-4-25-18(24)21-11-9-20(10-12-21)17(23)14-7-5-6-8-15(14)26-13-16(22)19(2)3/h5-8H,4,9-13H2,1-3H3