N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-cyanophenyl)methyl]piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-cyanophenyl)methyl]piperazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-cyanophenyl)methyl]piperazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-cyanophenyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-cyanophenyl)methyl]piperazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-cyanobenzyl)piperazine-1-carboxamide Formula: C21H21N5OS MolecularWeight: 391.48934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N5OS/c22-13-16-5-7-17(8-6-16)15-25-9-11-26(12-10-25)21(27)23-14-20-24-18-3-1-2-4-19(18)28-20/h1-8H,9-12,14-15H2,(H,23,27)