4-(4-phenylsulfanylphenyl)-1-(2-piperidin-1-ylethylsulfanyl)-2,3-dihydro-1,5-benzodiazepine

Systemtic Name: 4-(4-phenylsulfanylphenyl)-1-(2-piperidin-1-ylethylsulfanyl)-2,3-dihydro-1,5-benzodiazepine Openeye Name: 4-(4-phenylsulfanylphenyl)-1-[2-(1-piperidyl)ethylsulfanyl]-2,3-dihydro-1,5-benzodiazepine CAS Name: 4-[4-(phenylthio)phenyl]-1-[2-(1-piperidinyl)ethylthio]-2,3-dihydro-1,5-benzodiazepine IUPAC Name: 4-(4-phenylsulfanylphenyl)-1-(2-piperidin-1-ylethylsulfanyl)-2,3-dihydro-1,5-benzodiazepine Traditional Name: 4-[4-(phenylthio)phenyl]-1-(2-piperidinoethylthio)-2,3-dihydro-1,5-benzodiazepine Formula: C28H31N3S2 MolecularWeight: 473.69584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSN2CCC(=NC3=CC=CC=C32)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCSN2CCC(=NC3=CC=CC=C32)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C28H31N3S2/c1-3-9-24(10-4-1)33-25-15-13-23(14-16-25)26-17-20-31(28-12-6-5-11-27(28)29-26)32-22-21-30-18-7-2-8-19-30/h1,3-6,9-16H,2,7-8,17-22H2