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

Systemtic Name: ethyl 4-[2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanylbenzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

InChI

InChI=1S/C23H33N3O4S/c1-2-30-23(29)26-14-12-25(13-15-26)22(28)19-10-6-7-11-20(19)31-17-21(27)24-16-18-8-4-3-5-9-18/h6-7,10-11,18H,2-5,8-9,12-17H2,1H3,(H,24,27)