4-[2-[methyl(pyridin-4-ylmethyl)amino]-1-oxidanyl-ethyl]benzenecarbothioamide

Systemtic Name: 4-[2-[methyl(pyridin-4-ylmethyl)amino]-1-oxidanyl-ethyl]benzenecarbothioamide Openeye Name: 4-[1-hydroxy-2-[methyl(4-pyridylmethyl)amino]ethyl]benzenecarbothioamide CAS Name: 4-[1-hydroxy-2-[methyl(pyridin-4-ylmethyl)amino]ethyl]benzenecarbothioamide IUPAC Name: 4-[1-hydroxy-2-[methyl(pyridin-4-ylmethyl)amino]ethyl]benzenecarbothioamide Traditional Name: 4-[1-hydroxy-2-[methyl(4-pyridylmethyl)amino]ethyl]thiobenzamide Formula: C16H19N3OS MolecularWeight: 301.40656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NC=C1)CC(C2=CC=C(C=C2)C(=S)N)O

Isomeric SMILES

CN(CC1=CC=NC=C1)CC(C2=CC=C(C=C2)C(=S)N)O

InChI

InChI=1S/C16H19N3OS/c1-19(10-12-6-8-18-9-7-12)11-15(20)13-2-4-14(5-3-13)16(17)21/h2-9,15,20H,10-11H2,1H3,(H2,17,21)