(2S)-2-azanyl-N-[4-(4-fluorophenyl)-5-pyridin-4-yl-thiophen-2-yl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-azanyl-N-[4-(4-fluorophenyl)-5-pyridin-4-yl-thiophen-2-yl]-4-methyl-pentanamide Openeye Name: (2S)-2-amino-N-[4-(4-fluorophenyl)-5-(4-pyridyl)-2-thienyl]-4-methyl-pentanamide CAS Name: (2S)-2-amino-N-[4-(4-fluorophenyl)-5-pyridin-4-yl-2-thiophenyl]-4-methylpentanamide IUPAC Name: (2S)-2-amino-N-[4-(4-fluorophenyl)-5-pyridin-4-ylthiophen-2-yl]-4-methylpentanamide Traditional Name: (2S)-2-amino-N-[4-(4-fluorophenyl)-5-(4-pyridyl)-2-thienyl]-4-methyl-valeramide Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC(=C(S1)C2=CC=NC=C2)C3=CC=C(C=C3)F)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC(=C(S1)C2=CC=NC=C2)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C21H22FN3OS/c1-13(2)11-18(23)21(26)25-19-12-17(14-3-5-16(22)6-4-14)20(27-19)15-7-9-24-10-8-15/h3-10,12-13,18H,11,23H2,1-2H3,(H,25,26)/t18-/m0/s1