N-(cyanomethyl)-2-[[4-[4-[2-(dimethylamino)ethanoyl]phenyl]-1,2-thiazol-3-yl]amino]-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[[4-[4-[2-(dimethylamino)ethanoyl]phenyl]-1,2-thiazol-3-yl]amino]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-[4-[2-(dimethylamino)acetyl]phenyl]isothiazol-3-yl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[4-[2-(dimethylamino)-1-oxoethyl]phenyl]-3-isothiazolyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[[4-[4-[2-(dimethylamino)acetyl]phenyl]-1,2-thiazol-3-yl]amino]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-[4-[2-(dimethylamino)acetyl]phenyl]isothiazol-3-yl]amino]-4-methyl-valeramide Formula: C21H27N5O2S MolecularWeight: 413.53638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=NSC=C1C2=CC=C(C=C2)C(=O)CN(C)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=NSC=C1C2=CC=C(C=C2)C(=O)CN(C)C

InChI

InChI=1S/C21H27N5O2S/c1-14(2)11-18(21(28)23-10-9-22)24-20-17(13-29-25-20)15-5-7-16(8-6-15)19(27)12-26(3)4/h5-8,13-14,18H,10-12H2,1-4H3,(H,23,28)(H,24,25)