N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-oxidanylidene-piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-oxidanylidene-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-3-oxo-piperazine-1-carbothioamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-oxo-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-oxopiperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-3-keto-piperazine-1-carbothioamide Formula: C15H19ClN4O4S2 MolecularWeight: 418.91876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C15H19ClN4O4S2/c16-12-2-1-11(26(22,23)20-5-7-24-8-6-20)9-13(12)18-15(25)19-4-3-17-14(21)10-19/h1-2,9H,3-8,10H2,(H,17,21)(H,18,25)