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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC(=CC=C2)Br)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC(=CC=C2)Br)C3=NC(=NS3)CC4=CC=CC=C4

InChI

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