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

Systemtic Name: 3-[8-(4-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide Openeye Name: 3-[8-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide CAS Name: 3-[8-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide IUPAC Name: 3-[8-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide Traditional Name: 3-[8-(4-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=C(C=C3)F)NC1=O)C4=CC(=CC=C4)C(=S)N

Isomeric SMILES

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

InChI

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