N-(3-chloranyl-5-propan-2-yl-phenyl)-4-cyano-2-(2-fluorophenyl)-2H-1,3-benzothiazole-3-carbothioamide

Systemtic Name: N-(3-chloranyl-5-propan-2-yl-phenyl)-4-cyano-2-(2-fluorophenyl)-2H-1,3-benzothiazole-3-carbothioamide Openeye Name: N-(3-chloro-5-isopropyl-phenyl)-4-cyano-2-(2-fluorophenyl)-2H-1,3-benzothiazole-3-carbothioamide CAS Name: N-(3-chloro-5-propan-2-ylphenyl)-4-cyano-2-(2-fluorophenyl)-2H-1,3-benzothiazole-3-carbothioamide IUPAC Name: N-(3-chloro-5-propan-2-ylphenyl)-4-cyano-2-(2-fluorophenyl)-2H-1,3-benzothiazole-3-carbothioamide Traditional Name: N-(3-chloro-5-isopropyl-phenyl)-4-cyano-2-(2-fluorophenyl)-2H-1,3-benzothiazole-3-carbothioamide Formula: C24H19ClFN3S2 MolecularWeight: 468.009163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1)Cl)NC(=S)N2C(SC3=CC=CC(=C32)C#N)C4=CC=CC=C4F

Isomeric SMILES

CC(C)C1=CC(=CC(=C1)Cl)NC(=S)N2C(SC3=CC=CC(=C32)C#N)C4=CC=CC=C4F

InChI

InChI=1S/C24H19ClFN3S2/c1-14(2)16-10-17(25)12-18(11-16)28-24(30)29-22-15(13-27)6-5-9-21(22)31-23(29)19-7-3-4-8-20(19)26/h3-12,14,23H,1-2H3,(H,28,30)