(3S)-1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[(4-morpholinosulfonylphenyl)carbamothioyl]piperidine-3-carboxamide CAS Name: (3S)-1-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[(4-morpholinosulfonylphenyl)thiocarbamoyl]nipecotamide Formula: C17H24N4O4S2 MolecularWeight: 412.52686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N

InChI

InChI=1S/C17H24N4O4S2/c18-16(22)13-2-1-7-20(12-13)17(26)19-14-3-5-15(6-4-14)27(23,24)21-8-10-25-11-9-21/h3-6,13H,1-2,7-12H2,(H2,18,22)(H,19,26)/t13-/m0/s1