3-[(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-N-cyclopropyl-propanamide

Systemtic Name: 3-[(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-N-cyclopropyl-propanamide Openeye Name: 3-[(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidyl]-N-cyclopropyl-propanamide CAS Name: 3-[(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidinyl]-N-cyclopropylpropanamide IUPAC Name: 3-[(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-N-cyclopropylpropanamide Traditional Name: N-cyclopropyl-3-[(3S)-1-(piazthiol-5-ylmethyl)-3-piperidyl]propionamide Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=NSN=C3C=C2)CCC(=O)NC4CC4

Isomeric SMILES

C1C[C@H](CN(C1)CC2=CC3=NSN=C3C=C2)CCC(=O)NC4CC4

InChI

InChI=1S/C18H24N4OS/c23-18(19-15-5-6-15)8-4-13-2-1-9-22(11-13)12-14-3-7-16-17(10-14)21-24-20-16/h3,7,10,13,15H,1-2,4-6,8-9,11-12H2,(H,19,23)/t13-/m0/s1