N-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]phenyl]-2-methyl-propanamide

Systemtic Name: N-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]phenyl]-2-methyl-propanamide Openeye Name: N-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidyl]phenyl]-2-methyl-propanamide CAS Name: N-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidinyl]phenyl]-2-methylpropanamide IUPAC Name: N-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]phenyl]-2-methylpropanamide Traditional Name: 2-methyl-N-[3-[1-(piazthiol-5-ylmethyl)-4-piperidyl]phenyl]propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C22H26N4OS/c1-15(2)22(27)23-19-5-3-4-18(13-19)17-8-10-26(11-9-17)14-16-6-7-20-21(12-16)25-28-24-20/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H,23,27)