4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzenecarbothioamide

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzenecarbothioamide Openeye Name: 4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzenecarbothioamide CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzenecarbothioamide IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzenecarbothioamide Traditional Name: 4-[(3S)-3-methylpiperidino]sulfonylthiobenzamide Formula: C13H18N2O2S2 MolecularWeight: 298.42422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H18N2O2S2/c1-10-3-2-8-15(9-10)19(16,17)12-6-4-11(5-7-12)13(14)18/h4-7,10H,2-3,8-9H2,1H3,(H2,14,18)/t10-/m0/s1