3-methoxy-4-[4-[2-methyl-2-(2H-1,2,3,4-tetrazol-5-yl)propyl]piperazin-1-yl]-5H-thieno[3,2-c][1,5]benzodiazepine

Systemtic Name: 3-methoxy-4-[4-[2-methyl-2-(2H-1,2,3,4-tetrazol-5-yl)propyl]piperazin-1-yl]-5H-thieno[3,2-c][1,5]benzodiazepine Openeye Name: 3-methoxy-4-[4-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperazin-1-yl]-5H-thieno[3,2-c][1,5]benzodiazepine CAS Name: 3-methoxy-4-[4-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1-piperazinyl]-5H-thieno[3,2-c][1,5]benzodiazepine IUPAC Name: 3-methoxy-4-[4-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperazin-1-yl]-5H-thieno[3,2-c][1,5]benzodiazepine Traditional Name: 3-methoxy-4-[4-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperazino]-5H-thieno[3,2-c][1,5]benzodiazepine Formula: C21H26N8OS MolecularWeight: 438.54914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CC1)C2=C3C(=CSC3=NC4=CC=CC=C4N2)OC)C5=NNN=N5

Isomeric SMILES

CC(C)(CN1CCN(CC1)C2=C3C(=CSC3=NC4=CC=CC=C4N2)OC)C5=NNN=N5

InChI

InChI=1S/C21H26N8OS/c1-21(2,20-24-26-27-25-20)13-28-8-10-29(11-9-28)18-17-16(30-3)12-31-19(17)23-15-7-5-4-6-14(15)22-18/h4-7,12,22H,8-11,13H2,1-3H3,(H,24,25,26,27)