(2R)-2-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(4-fluorobenzyl)pyrrolidine-1-carbothioamide Formula: C19H18FN3S2 MolecularWeight: 371.494723

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NCC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18FN3S2/c20-14-9-7-13(8-10-14)12-21-19(24)23-11-3-5-16(23)18-22-15-4-1-2-6-17(15)25-18/h1-2,4,6-10,16H,3,5,11-12H2,(H,21,24)/t16-/m1/s1