N-[5-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: N-[5-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxamide Openeye Name: N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-thioxo-cyclohexa-1,5-diene-1-carboxamide CAS Name: N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-sulfanylidene-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-sulfanylidenecyclohexa-1,5-diene-1-carboxamide Traditional Name: N-[5-(2-fluorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-thioxo-cyclohexa-1,5-diene-1-carboxamide Formula: C22H16FN3O2S MolecularWeight: 405.444743

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=CC1=S)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4F

Isomeric SMILES

C1C=CC(=CC1=S)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4F

InChI

InChI=1S/C22H16FN3O2S/c23-17-10-3-1-8-15(17)19-16-9-2-4-11-18(16)24-22(28)20(25-19)26-21(27)13-6-5-7-14(29)12-13/h1-6,8-12,20H,7H2,(H,24,28)(H,26,27)