2-[1-(1-benzothiophen-3-ylmethyl)-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(1-benzothiophen-3-ylmethyl)-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Openeye Name: 2-[1-(benzothiophen-3-ylmethyl)-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-dione CAS Name: 2-[1-(1-benzothiophen-3-ylmethyl)-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(1-benzothiophen-3-ylmethyl)-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Traditional Name: 2-[1-(benzothiophen-3-ylmethyl)-5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-quinone Formula: C32H20FN3O3S MolecularWeight: 545.582903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5F)CC6=CSC7=CC=CC=C76

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5F)CC6=CSC7=CC=CC=C76

InChI

InChI=1S/C32H20FN3O3S/c33-25-14-6-3-12-23(25)28-24-13-4-7-15-26(24)35(17-19-18-40-27-16-8-5-9-20(19)27)32(39)29(34-28)36-30(37)21-10-1-2-11-22(21)31(36)38/h1-16,18,29H,17H2