N-[[1-(N'-cyanocarbamimidoyl)-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzenecarbothioamide

Systemtic Name: N-[[1-(N'-cyanocarbamimidoyl)-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzenecarbothioamide Openeye Name: N-[[1-(N'-cyanocarbamimidoyl)-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzenecarbothioamide CAS Name: N-[[1-[amino(cyanoimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzenecarbothioamide IUPAC Name: N-[[1-(N'-cyanocarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzenecarbothioamide Traditional Name: N-[[1-(N'-cyanoamidino)-4-phenyl-4-piperidyl]methyl]-2-methoxy-thiobenzamide Formula: C22H25N5OS MolecularWeight: 407.5318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=S)NCC2(CCN(CC2)C(=NC#N)N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=S)NCC2(CCN(CC2)C(=NC#N)N)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5OS/c1-28-19-10-6-5-9-18(19)20(29)25-15-22(17-7-3-2-4-8-17)11-13-27(14-12-22)21(24)26-16-23/h2-10H,11-15H2,1H3,(H2,24,26)(H,25,29)