2-(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide

Systemtic Name: 2-(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-[4-methyl-6-(1-piperidyl)pyrimidin-2-yl]sulfanyl-N-[(E)-(3-nitrophenyl)methyleneamino]acetamide CAS Name: 2-[[4-methyl-6-(1-piperidinyl)-2-pyrimidinyl]thio]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-[(4-methyl-6-piperidino-pyrimidin-2-yl)thio]-N-[(E)-(3-nitrobenzylidene)amino]acetamide Formula: C19H22N6O3S MolecularWeight: 414.48138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C19H22N6O3S/c1-14-10-17(24-8-3-2-4-9-24)22-19(21-14)29-13-18(26)23-20-12-15-6-5-7-16(11-15)25(27)28/h5-7,10-12H,2-4,8-9,13H2,1H3,(H,23,26)/b20-12+