3-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide

Systemtic Name: 3-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide Openeye Name: 3-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidyl]-N-(4-cyanophenyl)propanamide CAS Name: 3-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidinyl]-N-(4-cyanophenyl)propanamide IUPAC Name: 3-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide Traditional Name: 3-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidino]-N-(4-cyanophenyl)propionamide Formula: C22H21ClN4OS MolecularWeight: 424.94634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(S2)C=CC(=C3)Cl)CCC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C2=NC3=C(S2)C=CC(=C3)Cl)CCC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21ClN4OS/c23-17-3-6-20-19(13-17)26-22(29-20)16-7-10-27(11-8-16)12-9-21(28)25-18-4-1-15(14-24)2-5-18/h1-6,13,16H,7-12H2,(H,25,28)