5-(2,6-diethylphenyl)-3-methyl-9-propylsulfanyl-1,3-dihydro-1,4-benzodiazepine-2-thione

Systemtic Name: 5-(2,6-diethylphenyl)-3-methyl-9-propylsulfanyl-1,3-dihydro-1,4-benzodiazepine-2-thione Openeye Name: 5-(2,6-diethylphenyl)-3-methyl-9-propylsulfanyl-1,3-dihydro-1,4-benzodiazepine-2-thione CAS Name: 5-(2,6-diethylphenyl)-3-methyl-9-(propylthio)-1,3-dihydro-1,4-benzodiazepine-2-thione IUPAC Name: 5-(2,6-diethylphenyl)-3-methyl-9-propylsulfanyl-1,3-dihydro-1,4-benzodiazepine-2-thione Traditional Name: 5-(2,6-diethylphenyl)-3-methyl-9-(propylthio)-1,3-dihydro-1,4-benzodiazepine-2-thione Formula: C23H28N2S2 MolecularWeight: 396.61182

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC2=C1NC(=S)C(N=C2C3=C(C=CC=C3CC)CC)C

Isomeric SMILES

CCCSC1=CC=CC2=C1NC(=S)C(N=C2C3=C(C=CC=C3CC)CC)C

InChI

InChI=1S/C23H28N2S2/c1-5-14-27-19-13-9-12-18-21(19)25-23(26)15(4)24-22(18)20-16(6-2)10-8-11-17(20)7-3/h8-13,15H,5-7,14H2,1-4H3,(H,25,26)