N,N'-bis[3-[4-chloranyl-2-(3-piperazin-1-ylpropanoylamino)phenyl]sulfanylphenyl]pentanediamide

Systemtic Name: N,N'-bis[3-[4-chloranyl-2-(3-piperazin-1-ylpropanoylamino)phenyl]sulfanylphenyl]pentanediamide Openeye Name: N,N'-bis[3-[4-chloro-2-(3-piperazin-1-ylpropanoylamino)phenyl]sulfanylphenyl]pentanediamide CAS Name: N,N'-bis[3-[[4-chloro-2-[[1-oxo-3-(1-piperazinyl)propyl]amino]phenyl]thio]phenyl]pentanediamide IUPAC Name: N,N'-bis[3-[4-chloro-2-(3-piperazin-1-ylpropanoylamino)phenyl]sulfanylphenyl]pentanediamide Traditional Name: N,N'-bis[3-[[4-chloro-2-(3-piperazinopropanoylamino)phenyl]thio]phenyl]glutaramide Formula: C43H50Cl2N8O4S2 MolecularWeight: 877.9443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCC(=O)NC2=C(C=CC(=C2)Cl)SC3=CC=CC(=C3)NC(=O)CCCC(=O)NC4=CC(=CC=C4)SC5=C(C=C(C=C5)Cl)NC(=O)CCN6CCNCC6

Isomeric SMILES

C1CN(CCN1)CCC(=O)NC2=C(C=CC(=C2)Cl)SC3=CC=CC(=C3)NC(=O)CCCC(=O)NC4=CC(=CC=C4)SC5=C(C=C(C=C5)Cl)NC(=O)CCN6CCNCC6

InChI

InChI=1S/C43H50Cl2N8O4S2/c44-30-10-12-38(36(26-30)50-42(56)14-20-52-22-16-46-17-23-52)58-34-6-1-4-32(28-34)48-40(54)8-3-9-41(55)49-33-5-2-7-35(29-33)59-39-13-11-31(45)27-37(39)51-43(57)15-21-53-24-18-47-19-25-53/h1-2,4-7,10-13,26-29,46-47H,3,8-9,14-25H2,(H,48,54)(H,49,55)(H,50,56)(H,51,57)