(E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(2-piperidin-1-ylphenyl)amino]prop-2-enenitrile

Systemtic Name: (E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(2-piperidin-1-ylphenyl)amino]prop-2-enenitrile Openeye Name: (E)-2-(4-methylthiazol-2-yl)-3-[2-(1-piperidyl)anilino]prop-2-enenitrile CAS Name: (E)-2-(4-methyl-2-thiazolyl)-3-[2-(1-piperidinyl)anilino]-2-propenenitrile IUPAC Name: (E)-2-(4-methyl-1,3-thiazol-2-yl)-3-(2-piperidin-1-ylanilino)prop-2-enenitrile Traditional Name: (E)-2-(4-methylthiazol-2-yl)-3-(2-piperidinoanilino)acrylonitrile Formula: C18H20N4S MolecularWeight: 324.4432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CNC2=CC=CC=C2N3CCCCC3)C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/NC2=CC=CC=C2N3CCCCC3)/C#N

InChI

InChI=1S/C18H20N4S/c1-14-13-23-18(21-14)15(11-19)12-20-16-7-3-4-8-17(16)22-9-5-2-6-10-22/h3-4,7-8,12-13,20H,2,5-6,9-10H2,1H3/b15-12+