ethyl 4-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-chloro-5-morpholinosulfonyl-phenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[2-chloro-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-5-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(2-chloro-5-morpholinosulfonyl-phenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25ClN4O5S2 MolecularWeight: 476.9979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O5S2/c1-2-28-18(24)22-7-5-21(6-8-22)17(29)20-16-13-14(3-4-15(16)19)30(25,26)23-9-11-27-12-10-23/h3-4,13H,2,5-12H2,1H3,(H,20,29)