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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCNC(=O)C4=CC=C(C=C4)N=C=S

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCNC(=O)C4=CC=C(C=C4)N=C=S

InChI

InChI=1S/C25H18ClFN4O2S/c26-17-7-10-22-20(13-17)24(19-3-1-2-4-21(19)27)29-14-23(32)31(22)12-11-28-25(33)16-5-8-18(9-6-16)30-15-34/h1-10,13H,11-12,14H2,(H,28,33)