N-(cyanomethyl)-2-[[4-[4-[2-(dimethylamino)ethanoyl]phenyl]-3-methyl-1,2-thiazol-5-yl]amino]-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[[4-[4-[2-(dimethylamino)ethanoyl]phenyl]-3-methyl-1,2-thiazol-5-yl]amino]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-[4-[2-(dimethylamino)acetyl]phenyl]-3-methyl-isothiazol-5-yl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[4-[2-(dimethylamino)-1-oxoethyl]phenyl]-3-methyl-5-isothiazolyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[[4-[4-[2-(dimethylamino)acetyl]phenyl]-3-methyl-1,2-thiazol-5-yl]amino]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-[4-[2-(dimethylamino)acetyl]phenyl]-3-methyl-isothiazol-5-yl]amino]-4-methyl-valeramide Formula: C22H29N5O2S MolecularWeight: 427.56296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C2=CC=C(C=C2)C(=O)CN(C)C)NC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CC1=NSC(=C1C2=CC=C(C=C2)C(=O)CN(C)C)NC(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C22H29N5O2S/c1-14(2)12-18(21(29)24-11-10-23)25-22-20(15(3)26-30-22)17-8-6-16(7-9-17)19(28)13-27(4)5/h6-9,14,18,25H,11-13H2,1-5H3,(H,24,29)