4-azanyl-N-[(2-chlorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-1,2-thiazole-3-carboxamide

Systemtic Name: 4-azanyl-N-[(2-chlorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-1,2-thiazole-3-carboxamide Openeye Name: 4-amino-N-[(2-chlorophenyl)methyl]-5-[4-(2-pyridyl)piperazine-1-carbonyl]isothiazole-3-carboxamide CAS Name: 4-amino-N-[(2-chlorophenyl)methyl]-5-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3-isothiazolecarboxamide IUPAC Name: 4-amino-N-[(2-chlorophenyl)methyl]-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,2-thiazole-3-carboxamide Traditional Name: 4-amino-N-(2-chlorobenzyl)-5-[4-(2-pyridyl)piperazine-1-carbonyl]isothiazole-3-carboxamide Formula: C21H21ClN6O2S MolecularWeight: 456.94844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C(=NS3)C(=O)NCC4=CC=CC=C4Cl)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C(=NS3)C(=O)NCC4=CC=CC=C4Cl)N

InChI

InChI=1S/C21H21ClN6O2S/c22-15-6-2-1-5-14(15)13-25-20(29)18-17(23)19(31-26-18)21(30)28-11-9-27(10-12-28)16-7-3-4-8-24-16/h1-8H,9-13,23H2,(H,25,29)