N-[[5-azanyl-4-cyano-3-(4-propan-2-ylphenyl)-2,3-dihydrothiophen-2-yl]carbonyl]piperidine-1-carboxamide

Systemtic Name: N-[[5-azanyl-4-cyano-3-(4-propan-2-ylphenyl)-2,3-dihydrothiophen-2-yl]carbonyl]piperidine-1-carboxamide Openeye Name: N-[5-amino-4-cyano-3-(4-isopropylphenyl)-2,3-dihydrothiophene-2-carbonyl]piperidine-1-carboxamide CAS Name: N-[[5-amino-4-cyano-3-(4-propan-2-ylphenyl)-2,3-dihydrothiophen-2-yl]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: N-[5-amino-4-cyano-3-(4-propan-2-ylphenyl)-2,3-dihydrothiophene-2-carbonyl]piperidine-1-carboxamide Traditional Name: N-(5-amino-4-cyano-3-p-cumenyl-2,3-dihydrothiophene-2-carbonyl)piperidine-1-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(SC(=C2C#N)N)C(=O)NC(=O)N3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(SC(=C2C#N)N)C(=O)NC(=O)N3CCCCC3

InChI

InChI=1S/C21H26N4O2S/c1-13(2)14-6-8-15(9-7-14)17-16(12-22)19(23)28-18(17)20(26)24-21(27)25-10-4-3-5-11-25/h6-9,13,17-18H,3-5,10-11,23H2,1-2H3,(H,24,26,27)