4-butylsulfonyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 4-butylsulfonyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-4-butylsulfonyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 4-butylsulfonyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-4-butylsulfonyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-4-butylsulfonyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-3,5-dihydro-2H-1,4-benzodiazepine Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CC2=C(C=CC(=C2)[N+]#[C-])N(CC1CC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CCCCS(=O)(=O)N1CC2=C(C=CC(=C2)[N+]#[C-])N(CC1CC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C25H29N5O2S/c1-3-4-12-33(31,32)30-16-21-14-22(26-2)10-11-25(21)29(17-23-15-27-19-28-23)18-24(30)13-20-8-6-5-7-9-20/h5-11,14-15,19,24H,3-4,12-13,16-18H2,1H3,(H,27,28)