4-[[4-oxidanyl-3-(4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepin-2-yl)phenyl]methyl]-2-(4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepin-2-yl)phenol

Systemtic Name: 4-[[4-oxidanyl-3-(4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepin-2-yl)phenyl]methyl]-2-(4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepin-2-yl)phenol Openeye Name: 4-[[4-hydroxy-3-[4-(2-thienyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]phenyl]methyl]-2-[4-(2-thienyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]phenol CAS Name: 4-[[4-hydroxy-3-(4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepin-2-yl)phenyl]methyl]-2-(4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepin-2-yl)phenol IUPAC Name: 4-[[4-hydroxy-3-(4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepin-2-yl)phenyl]methyl]-2-(4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepin-2-yl)phenol Traditional Name: 4-[4-hydroxy-3-[4-(2-thienyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]benzyl]-2-[4-(2-thienyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]phenol Formula: C39H32N4O2S2 MolecularWeight: 652.82698

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=CC=CC=C2N=C1C3=CC=CS3)C4=C(C=CC(=C4)CC5=CC(=C(C=C5)O)C6CC(=NC7=CC=CC=C7N6)C8=CC=CS8)O

Isomeric SMILES

C1C(NC2=CC=CC=C2N=C1C3=CC=CS3)C4=C(C=CC(=C4)CC5=CC(=C(C=C5)O)C6CC(=NC7=CC=CC=C7N6)C8=CC=CS8)O

InChI

InChI=1S/C39H32N4O2S2/c44-36-15-13-24(20-26(36)32-22-34(38-11-5-17-46-38)42-30-9-3-1-7-28(30)40-32)19-25-14-16-37(45)27(21-25)33-23-35(39-12-6-18-47-39)43-31-10-4-2-8-29(31)41-33/h1-18,20-21,32-33,40-41,44-45H,19,22-23H2