3-methylsulfanyl-6-piperazin-1-yl-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-methylsulfanyl-6-piperazin-1-yl-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-methylsulfanyl-6-piperazin-1-yl-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-(methylthio)-6-(1-piperazinyl)-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-methylsulfanyl-6-piperazin-1-yl-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-(methylthio)-6-piperazino-5H-benzo[b][1,4]benzodiazepine Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C3C=CC=CC3=C(N2)N4CCNCC4

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C3C=CC=CC3=C(N2)N4CCNCC4

InChI

InChI=1S/C18H20N4S/c1-23-13-6-7-16-17(12-13)21-18(22-10-8-19-9-11-22)14-4-2-3-5-15(14)20-16/h2-7,12,19,21H,8-11H2,1H3