tert-butyl 4-(8-fluoranyl-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepin-12-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(8-fluoranyl-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepin-12-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(8-fluoro-6H-benzothiopheno[2,3-b][1,5]benzodiazepin-12-yl)piperazine-1-carboxylate CAS Name: 4-(8-fluoro-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepin-12-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(8-fluoro-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepin-12-yl)piperazine-1-carboxylate Traditional Name: 4-(8-fluoro-6H-benzothiopheno[2,3-b][1,5]benzodiazepin-12-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H25FN4O2S MolecularWeight: 452.544303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)F)NC4=C2C5=CC=CC=C5S4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)F)NC4=C2C5=CC=CC=C5S4

InChI

InChI=1S/C24H25FN4O2S/c1-24(2,3)31-23(30)29-12-10-28(11-13-29)21-20-16-6-4-5-7-19(16)32-22(20)27-18-14-15(25)8-9-17(18)26-21/h4-9,14,27H,10-13H2,1-3H3