6,9-bis(oxidanyl)-2,4-bis(phenylmethyl)-1,5-dihydro-2,4-benzodiazepine-3-thione

Systemtic Name: 6,9-bis(oxidanyl)-2,4-bis(phenylmethyl)-1,5-dihydro-2,4-benzodiazepine-3-thione Openeye Name: 2,4-dibenzyl-6,9-dihydroxy-1,5-dihydro-2,4-benzodiazepine-3-thione CAS Name: 6,9-dihydroxy-2,4-bis(phenylmethyl)-1,5-dihydro-2,4-benzodiazepine-3-thione IUPAC Name: 2,4-dibenzyl-6,9-dihydroxy-1,5-dihydro-2,4-benzodiazepine-3-thione Traditional Name: 2,4-dibenzyl-6,9-dihydroxy-1,5-dihydro-2,4-benzodiazepine-3-thione Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2CN(C(=S)N1CC3=CC=CC=C3)CC4=CC=CC=C4)O)O

Isomeric SMILES

C1C2=C(C=CC(=C2CN(C(=S)N1CC3=CC=CC=C3)CC4=CC=CC=C4)O)O

InChI

InChI=1S/C23H22N2O2S/c26-21-11-12-22(27)20-16-25(14-18-9-5-2-6-10-18)23(28)24(15-19(20)21)13-17-7-3-1-4-8-17/h1-12,26-27H,13-16H2