7-chloranyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-5-phenyl-3H-1,4-benzodiazepine

Systemtic Name: 7-chloranyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-5-phenyl-3H-1,4-benzodiazepine Openeye Name: 7-chloro-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-5-phenyl-3H-1,4-benzodiazepine CAS Name: 7-chloro-2-[2-(4-methyl-1-piperazinyl)ethylthio]-5-phenyl-3H-1,4-benzodiazepine IUPAC Name: 7-chloro-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-5-phenyl-3H-1,4-benzodiazepine Traditional Name: 7-chloro-2-[2-(4-methylpiperazino)ethylthio]-5-phenyl-3H-1,4-benzodiazepine Formula: C22H25ClN4S MolecularWeight: 412.9787

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCSC2=NC3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CCSC2=NC3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4

InChI

InChI=1S/C22H25ClN4S/c1-26-9-11-27(12-10-26)13-14-28-21-16-24-22(17-5-3-2-4-6-17)19-15-18(23)7-8-20(19)25-21/h2-8,15H,9-14,16H2,1H3