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

Systemtic Name: N-(2-bromophenyl)-2-methyl-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-bromophenyl)-2-methyl-piperazine-1-carboxamide CAS Name: N-(2-bromophenyl)-2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinecarboxamide IUPAC Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-bromophenyl)-2-methylpiperazine-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-bromophenyl)-2-methyl-piperazine-1-carboxamide Formula: C21H22BrN5OS MolecularWeight: 472.40128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=CC=C2Br)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=CC=C2Br)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22BrN5OS/c1-15-14-26(21-24-19(25-29-21)13-16-7-3-2-4-8-16)11-12-27(15)20(28)23-18-10-6-5-9-17(18)22/h2-10,15H,11-14H2,1H3,(H,23,28)