(2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]propanamide

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]propanamide Openeye Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(4-fluoro-3-methyl-phenyl)methyl]propanamide CAS Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(4-fluoro-3-methylphenyl)methyl]propanamide IUPAC Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(4-fluoro-3-methylphenyl)methyl]propanamide Traditional Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-(4-fluoro-3-methyl-benzyl)propionamide Formula: C18H18FN3OS MolecularWeight: 343.418423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C(C)NC2=NC3=CC=CC=C3S2)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)[C@H](C)NC2=NC3=CC=CC=C3S2)F

InChI

InChI=1S/C18H18FN3OS/c1-11-9-13(7-8-14(11)19)10-20-17(23)12(2)21-18-22-15-5-3-4-6-16(15)24-18/h3-9,12H,10H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1