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

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)azocane-1-carbothioamide Openeye Name: N-(4-morpholinosulfonylphenyl)azocane-1-carbothioamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-1-azocanecarbothioamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)azocane-1-carbothioamide Traditional Name: N-(4-morpholinosulfonylphenyl)azocane-1-carbothioamide Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCCN(CCC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H27N3O3S2/c22-26(23,21-12-14-24-15-13-21)17-8-6-16(7-9-17)19-18(25)20-10-4-2-1-3-5-11-20/h6-9H,1-5,10-15H2,(H,19,25)