(2S)-2-azanyl-4-methyl-N-[3-methyl-4-(4-pyridin-3-ylphenyl)-1,2-thiazol-5-yl]pentanamide

Systemtic Name: (2S)-2-azanyl-4-methyl-N-[3-methyl-4-(4-pyridin-3-ylphenyl)-1,2-thiazol-5-yl]pentanamide Openeye Name: (2S)-2-amino-4-methyl-N-[3-methyl-4-[4-(3-pyridyl)phenyl]isothiazol-5-yl]pentanamide CAS Name: (2S)-2-amino-4-methyl-N-[3-methyl-4-[4-(3-pyridinyl)phenyl]-5-isothiazolyl]pentanamide IUPAC Name: (2S)-2-amino-4-methyl-N-[3-methyl-4-(4-pyridin-3-ylphenyl)-1,2-thiazol-5-yl]pentanamide Traditional Name: (2S)-2-amino-4-methyl-N-[3-methyl-4-[4-(3-pyridyl)phenyl]isothiazol-5-yl]valeramide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C2=CC=C(C=C2)C3=CN=CC=C3)NC(=O)C(CC(C)C)N

Isomeric SMILES

CC1=NSC(=C1C2=CC=C(C=C2)C3=CN=CC=C3)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C21H24N4OS/c1-13(2)11-18(22)20(26)24-21-19(14(3)25-27-21)16-8-6-15(7-9-16)17-5-4-10-23-12-17/h4-10,12-13,18H,11,22H2,1-3H3,(H,24,26)/t18-/m0/s1