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

Systemtic Name: N-(3-bromophenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Openeye Name: N-(3-bromophenyl)-4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide CAS Name: N-(3-bromophenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinecarboxamide IUPAC Name: N-(3-bromophenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Traditional Name: N-(3-bromophenyl)-4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Formula: C21H22BrN5OS MolecularWeight: 472.40128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)Br

InChI

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