(2R)-2-(1,3-benzothiazol-2-yl)-N-(3-fluoranyl-4-methyl-phenyl)pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(3-fluoranyl-4-methyl-phenyl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methyl-phenyl)pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methyl-phenyl)pyrrolidine-1-carbothioamide Formula: C19H18FN3S2 MolecularWeight: 371.494723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCCC2C3=NC4=CC=CC=C4S3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCC[C@@H]2C3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C19H18FN3S2/c1-12-8-9-13(11-14(12)20)21-19(24)23-10-4-6-16(23)18-22-15-5-2-3-7-17(15)25-18/h2-3,5,7-9,11,16H,4,6,10H2,1H3,(H,21,24)/t16-/m1/s1