3-[8-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide

Systemtic Name: 3-[8-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide Openeye Name: 3-[8-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide CAS Name: 3-[8-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide IUPAC Name: 3-[8-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide Traditional Name: 3-[8-(2-fluorophenyl)-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]thiobenzamide Formula: C22H16FN3OS MolecularWeight: 389.445343

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C3=CC=CC=C3F)NC1=O)C4=CC(=CC=C4)C(=S)N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C3=CC=CC=C3F)NC1=O)C4=CC(=CC=C4)C(=S)N

InChI

InChI=1S/C22H16FN3OS/c23-17-7-2-1-6-16(17)13-8-9-18-20(11-13)26-21(27)12-19(25-18)14-4-3-5-15(10-14)22(24)28/h1-11H,12H2,(H2,24,28)(H,26,27)