N-(2,6-dimethylphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Openeye Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide CAS Name: N-(2,6-dimethylphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinecarboxamide IUPAC Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide Formula: C22H25N5OS MolecularWeight: 407.5318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-16-7-6-8-17(2)20(16)24-21(28)26-11-13-27(14-12-26)22-23-19(25-29-22)15-18-9-4-3-5-10-18/h3-10H,11-15H2,1-2H3,(H,24,28)