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

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)azepane-1-carbothioamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)azepane-1-carbothioamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-1-azepanecarbothioamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)azepane-1-carbothioamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)azepane-1-carbothioamide Formula: C17H24ClN3O3S2 MolecularWeight: 417.97376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C17H24ClN3O3S2/c18-15-6-5-14(26(22,23)21-9-11-24-12-10-21)13-16(15)19-17(25)20-7-3-1-2-4-8-20/h5-6,13H,1-4,7-12H2,(H,19,25)