2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,3-benzodiazepine-3-carboxamide

Systemtic Name: 2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,3-benzodiazepine-3-carboxamide Openeye Name: 2-thioxo-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,3-benzodiazepine-3-carboxamide CAS Name: 2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,3-benzodiazepine-3-carboxamide IUPAC Name: 2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,3-benzodiazepine-3-carboxamide Traditional Name: 2-thioxo-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,3-benzodiazepine-3-carboxamide Formula: C17H14F3N3OS MolecularWeight: 365.37277

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=S)NC2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(C(=S)NC2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H14F3N3OS/c18-17(19,20)12-5-3-6-13(10-12)21-15(24)23-9-8-11-4-1-2-7-14(11)22-16(23)25/h1-7,10H,8-9H2,(H,21,24)(H,22,25)