N-[1-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-[4-(2-cyano-3-fluoro-phenyl)piperazine-1-carbonyl]-2-methyl-propyl]thiophene-2-carboxamide CAS Name: N-[1-[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[1-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[1-[4-(2-cyano-3-fluoro-phenyl)piperazine-1-carbonyl]-2-methyl-propyl]thiophene-2-carboxamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=C(C(=CC=C2)F)C#N)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C2=C(C(=CC=C2)F)C#N)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H23FN4O2S/c1-14(2)19(24-20(27)18-7-4-12-29-18)21(28)26-10-8-25(9-11-26)17-6-3-5-16(22)15(17)13-23/h3-7,12,14,19H,8-11H2,1-2H3,(H,24,27)