(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(2-cyanophenyl)propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(2-cyanophenyl)propanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(2-cyanophenyl)propanamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-N-(2-cyanophenyl)propanamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(2-cyanophenyl)propanamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-N-(2-cyanophenyl)propionamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N5OS/c1-16(22(28)25-18-7-3-2-6-17(18)14-23)27-12-10-26(11-13-27)15-21-24-19-8-4-5-9-20(19)29-21/h2-9,16H,10-13,15H2,1H3,(H,25,28)/t16-/m1/s1