N-(3-cyanophenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-cyanophenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Openeye Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-cyanophenyl)piperazine-1-carboxamide CAS Name: N-(3-cyanophenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinecarboxamide IUPAC Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-cyanophenyl)piperazine-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-cyanophenyl)piperazine-1-carboxamide Formula: C21H20N6OS MolecularWeight: 404.4881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NS2)CC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=NC(=NS2)CC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H20N6OS/c22-15-17-7-4-8-18(13-17)23-20(28)26-9-11-27(12-10-26)21-24-19(25-29-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14H2,(H,23,28)