N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4-ethanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4-ethanoyl-piperazine-1-carbothioamide Openeye Name: 4-acetyl-N-(2-chloro-5-morpholinosulfonyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-acetyl-N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Traditional Name: 4-acetyl-N-(2-chloro-5-morpholinosulfonyl-phenyl)piperazine-1-carbothioamide Formula: C17H23ClN4O4S2 MolecularWeight: 446.97192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN4O4S2/c1-13(23)20-4-6-21(7-5-20)17(27)19-16-12-14(2-3-15(16)18)28(24,25)22-8-10-26-11-9-22/h2-3,12H,4-11H2,1H3,(H,19,27)