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

Systemtic Name: 4-(4-phenylsulfanylphenyl)-1-(2-pyrrolidin-1-ylethylsulfanyl)-2,3-dihydro-1,5-benzodiazepine Openeye Name: 4-(4-phenylsulfanylphenyl)-1-(2-pyrrolidin-1-ylethylsulfanyl)-2,3-dihydro-1,5-benzodiazepine CAS Name: 4-[4-(phenylthio)phenyl]-1-[2-(1-pyrrolidinyl)ethylthio]-2,3-dihydro-1,5-benzodiazepine IUPAC Name: 4-(4-phenylsulfanylphenyl)-1-(2-pyrrolidin-1-ylethylsulfanyl)-2,3-dihydro-1,5-benzodiazepine Traditional Name: 4-[4-(phenylthio)phenyl]-1-(2-pyrrolidinoethylthio)-2,3-dihydro-1,5-benzodiazepine Formula: C27H29N3S2 MolecularWeight: 459.66926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSN2CCC(=NC3=CC=CC=C32)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CCSN2CCC(=NC3=CC=CC=C32)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C27H29N3S2/c1-2-8-23(9-3-1)32-24-14-12-22(13-15-24)25-16-19-30(27-11-5-4-10-26(27)28-25)31-21-20-29-17-6-7-18-29/h1-5,8-15H,6-7,16-21H2