4-methanoyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-methanoyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Openeye Name: 4-formyl-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide CAS Name: 4-formyl-N-[4-(4-morpholinylsulfonyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-formyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Traditional Name: 4-formyl-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CN(CCN1C=O)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H22N4O4S2/c21-13-18-5-7-19(8-6-18)16(25)17-14-1-3-15(4-2-14)26(22,23)20-9-11-24-12-10-20/h1-4,13H,5-12H2,(H,17,25)