4-azanyl-N-(phenylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-1,2-thiazole-3-carboxamide

Systemtic Name: 4-azanyl-N-(phenylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-1,2-thiazole-3-carboxamide Openeye Name: 4-amino-N-benzyl-5-[4-(2-pyridyl)piperazine-1-carbonyl]isothiazole-3-carboxamide CAS Name: 4-amino-5-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-N-(phenylmethyl)-3-isothiazolecarboxamide IUPAC Name: 4-amino-N-benzyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,2-thiazole-3-carboxamide Traditional Name: 4-amino-N-benzyl-5-[4-(2-pyridyl)piperazine-1-carbonyl]isothiazole-3-carboxamide Formula: C21H22N6O2S MolecularWeight: 422.50338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C(=NS3)C(=O)NCC4=CC=CC=C4)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C(=NS3)C(=O)NCC4=CC=CC=C4)N

InChI

InChI=1S/C21H22N6O2S/c22-17-18(20(28)24-14-15-6-2-1-3-7-15)25-30-19(17)21(29)27-12-10-26(11-13-27)16-8-4-5-9-23-16/h1-9H,10-14,22H2,(H,24,28)