7-bromanyl-5-(3-ethylsulfinylphenyl)-8-propoxy-1,3-dihydro-1,4-benzodiazepine-2-thione

Systemtic Name: 7-bromanyl-5-(3-ethylsulfinylphenyl)-8-propoxy-1,3-dihydro-1,4-benzodiazepine-2-thione Openeye Name: 7-bromo-5-(3-ethylsulfinylphenyl)-8-propoxy-1,3-dihydro-1,4-benzodiazepine-2-thione CAS Name: 7-bromo-5-(3-ethylsulfinylphenyl)-8-propoxy-1,3-dihydro-1,4-benzodiazepine-2-thione IUPAC Name: 7-bromo-5-(3-ethylsulfinylphenyl)-8-propoxy-1,3-dihydro-1,4-benzodiazepine-2-thione Traditional Name: 7-bromo-5-(3-ethylsulfinylphenyl)-8-propoxy-1,3-dihydro-1,4-benzodiazepine-2-thione Formula: C20H21BrN2O2S2 MolecularWeight: 465.42694

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)NC(=S)CN=C2C3=CC(=CC=C3)S(=O)CC)Br

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)NC(=S)CN=C2C3=CC(=CC=C3)S(=O)CC)Br

InChI

InChI=1S/C20H21BrN2O2S2/c1-3-8-25-18-11-17-15(10-16(18)21)20(22-12-19(26)23-17)13-6-5-7-14(9-13)27(24)4-2/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,23,26)