4-methyl-2-[(3E)-2-oxidanylidene-3-(pyridin-3-ylmethylidene)piperidin-1-yl]-N-(phenylmethyl)-1,3-thiazole-5-carboxamide

Systemtic Name: 4-methyl-2-[(3E)-2-oxidanylidene-3-(pyridin-3-ylmethylidene)piperidin-1-yl]-N-(phenylmethyl)-1,3-thiazole-5-carboxamide Openeye Name: N-benzyl-4-methyl-2-[(3E)-2-oxo-3-(3-pyridylmethylene)-1-piperidyl]thiazole-5-carboxamide CAS Name: 4-methyl-2-[(3E)-2-oxo-3-(3-pyridinylmethylidene)-1-piperidinyl]-N-(phenylmethyl)-5-thiazolecarboxamide IUPAC Name: N-benzyl-4-methyl-2-[(3E)-2-oxo-3-(pyridin-3-ylmethylidene)piperidin-1-yl]-1,3-thiazole-5-carboxamide Traditional Name: N-benzyl-2-[(3E)-2-keto-3-(3-pyridylmethylene)piperidino]-4-methyl-thiazole-5-carboxamide Formula: C23H22N4O2S MolecularWeight: 418.51138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2CCCC(=CC3=CN=CC=C3)C2=O)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)N2CCC/C(=C\C3=CN=CC=C3)/C2=O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-16-20(21(28)25-15-17-7-3-2-4-8-17)30-23(26-16)27-12-6-10-19(22(27)29)13-18-9-5-11-24-14-18/h2-5,7-9,11,13-14H,6,10,12,15H2,1H3,(H,25,28)/b19-13+