1-(1H-imidazol-5-ylmethyl)-2-phenethyl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-2-phenethyl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 1-(1H-imidazol-5-ylmethyl)-2-phenethyl-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 1-(1H-imidazol-5-ylmethyl)-2-phenethyl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-2-phenethyl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 1-(1H-imidazol-5-ylmethyl)-2-phenethyl-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C25H26N4O2S2 MolecularWeight: 478.62954

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=CS3)CC4=CN=CN4)CCC5=CC=CC=C5

Isomeric SMILES

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=CS3)CC4=CN=CN4)CCC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O2S2/c30-33(31,25-11-6-14-32-25)28-16-21-9-4-5-10-24(21)29(17-22-15-26-19-27-22)23(18-28)13-12-20-7-2-1-3-8-20/h1-11,14-15,19,23H,12-13,16-18H2,(H,26,27)