1-(4-bromophenyl)-8-methoxy-3,5-dihydro-2,3-benzodiazepine-4-thione; 8-methoxy-1-phenyl-3,5-dihydro-2,3-benzodiazepine-4-thione

Systemtic Name: 1-(4-bromophenyl)-8-methoxy-3,5-dihydro-2,3-benzodiazepine-4-thione; 8-methoxy-1-phenyl-3,5-dihydro-2,3-benzodiazepine-4-thione Openeye Name: 1-(4-bromophenyl)-8-methoxy-3,5-dihydro-2,3-benzodiazepine-4-thione; 8-methoxy-1-phenyl-3,5-dihydro-2,3-benzodiazepine-4-thione CAS Name: 1-(4-bromophenyl)-8-methoxy-3,5-dihydro-2,3-benzodiazepine-4-thione; 8-methoxy-1-phenyl-3,5-dihydro-2,3-benzodiazepine-4-thione IUPAC Name: 1-(4-bromophenyl)-8-methoxy-3,5-dihydro-2,3-benzodiazepine-4-thione; 8-methoxy-1-phenyl-3,5-dihydro-2,3-benzodiazepine-4-thione Traditional Name: 1-(4-bromophenyl)-8-methoxy-3,5-dihydro-2,3-benzodiazepine-4-thione; 8-methoxy-1-phenyl-3,5-dihydro-2,3-benzodiazepine-4-thione Formula: C32H27BrN4O2S2 MolecularWeight: 643.61638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC(=S)NN=C2C3=CC=CC=C3)C=C1.COC1=CC2=C(CC(=S)NN=C2C3=CC=C(C=C3)Br)C=C1

Isomeric SMILES

COC1=CC2=C(CC(=S)NN=C2C3=CC=CC=C3)C=C1.COC1=CC2=C(CC(=S)NN=C2C3=CC=C(C=C3)Br)C=C1

InChI

InChI=1S/C16H13BrN2OS.C16H14N2OS/c1-20-13-7-4-11-8-15(21)18-19-16(14(11)9-13)10-2-5-12(17)6-3-10;1-19-13-8-7-12-9-15(20)17-18-16(14(12)10-13)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,18,21);2-8,10H,9H2,1H3,(H,17,20)