ethyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4-morpholinosulfonylphenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(4-morpholinosulfonylphenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H26N4O5S2 MolecularWeight: 442.55284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H26N4O5S2/c1-2-27-18(23)21-9-7-20(8-10-21)17(28)19-15-3-5-16(6-4-15)29(24,25)22-11-13-26-14-12-22/h3-6H,2,7-14H2,1H3,(H,19,28)