N-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-ethyl-4-isothiocyanato-benzamide

Systemtic Name: N-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-ethyl-4-isothiocyanato-benzamide Openeye Name: N-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-ethyl-4-isothiocyanato-benzamide CAS Name: N-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-ethyl-4-isothiocyanatobenzamide IUPAC Name: N-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-ethyl-4-isothiocyanatobenzamide Traditional Name: N-[7-chloro-5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]-N-ethyl-4-isothiocyanato-benzamide Formula: C25H18ClFN4O2S MolecularWeight: 492.952423

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=CC=C(C=C1)N=C=S)N2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F

Isomeric SMILES

CCN(C(=O)C1=CC=C(C=C1)N=C=S)N2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F

InChI

InChI=1S/C25H18ClFN4O2S/c1-2-30(25(33)16-7-10-18(11-8-16)29-15-34)31-22-12-9-17(26)13-20(22)24(28-14-23(31)32)19-5-3-4-6-21(19)27/h3-13H,2,14H2,1H3