N-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-(trifluoromethyl)benzenecarbothioamide

Systemtic Name: N-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-(trifluoromethyl)benzenecarbothioamide Openeye Name: N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-(trifluoromethyl)benzenecarbothioamide CAS Name: N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-(trifluoromethyl)benzenecarbothioamide IUPAC Name: N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-(trifluoromethyl)benzenecarbothioamide Traditional Name: N-(2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-(trifluoromethyl)thiobenzamide Formula: C23H16F3N3OS MolecularWeight: 439.45285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=S)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=S)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H16F3N3OS/c24-23(25,26)16-10-6-9-15(13-16)22(31)29-20-21(30)27-18-12-5-4-11-17(18)19(28-20)14-7-2-1-3-8-14/h1-13,20H,(H,27,30)(H,29,31)