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

Systemtic Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-cyanophenyl)-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-cyanophenyl)-2-methyl-piperazine-1-carboxamide CAS Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-cyanophenyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-cyanophenyl)-2-methylpiperazine-1-carboxamide Traditional Name: 4-[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-N-(3-cyanophenyl)-2-methyl-piperazine-1-carboxamide Formula: C22H21ClN6OS MolecularWeight: 452.95974

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=CC(=C2)C#N)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=CC(=C2)C#N)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN6OS/c1-15-14-28(22-26-20(27-31-22)12-16-5-7-18(23)8-6-16)9-10-29(15)21(30)25-19-4-2-3-17(11-19)13-24/h2-8,11,15H,9-10,12,14H2,1H3,(H,25,30)