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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21ClN4OS/c1-14(21(28)25-17-7-6-16(13-24)18(23)12-17)27-10-8-15(9-11-27)22-26-19-4-2-3-5-20(19)29-22/h2-7,12,14-15H,8-11H2,1H3,(H,25,28)