N-(4-morpholin-4-ylsulfonylphenyl)azepane-1-carbothioamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)azepane-1-carbothioamide Openeye Name: N-(4-morpholinosulfonylphenyl)azepane-1-carbothioamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-1-azepanecarbothioamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)azepane-1-carbothioamide Traditional Name: N-(4-morpholinosulfonylphenyl)azepane-1-carbothioamide Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S2/c21-25(22,20-11-13-23-14-12-20)16-7-5-15(6-8-16)18-17(24)19-9-3-1-2-4-10-19/h5-8H,1-4,9-14H2,(H,18,24)