N-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[3-(2-hydroxyethylsulfanylmethyl)phenyl]carbonylamino]-5-(4-piperazin-1-ylpiperazin-1-yl)benzamide

Systemtic Name: N-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[3-(2-hydroxyethylsulfanylmethyl)phenyl]carbonylamino]-5-(4-piperazin-1-ylpiperazin-1-yl)benzamide Openeye Name: N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methyleneamino]-2-[[3-(2-hydroxyethylsulfanylmethyl)benzoyl]amino]-5-(4-piperazin-1-ylpiperazin-1-yl)benzamide CAS Name: N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[[3-[(2-hydroxyethylthio)methyl]phenyl]-oxomethyl]amino]-5-[4-(1-piperazinyl)-1-piperazinyl]benzamide IUPAC Name: N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[3-(2-hydroxyethylsulfanylmethyl)benzoyl]amino]-5-(4-piperazin-1-ylpiperazin-1-yl)benzamide Traditional Name: N-[(E)-[4-chloro-3-(trifluoromethyl)benzylidene]amino]-2-[[3-[(2-hydroxyethylthio)methyl]benzoyl]amino]-5-(4-piperazinopiperazino)benzamide Formula: C33H37ClF3N7O3S MolecularWeight: 704.20519

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)N2CCN(CC2)C3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)CSCCO)C(=O)NN=CC5=CC(=C(C=C5)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)N2CCN(CC2)C3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)CSCCO)C(=O)N/N=C/C5=CC(=C(C=C5)Cl)C(F)(F)F

InChI

InChI=1S/C33H37ClF3N7O3S/c34-29-6-4-23(19-28(29)33(35,36)37)21-39-41-32(47)27-20-26(42-12-14-44(15-13-42)43-10-8-38-9-11-43)5-7-30(27)40-31(46)25-3-1-2-24(18-25)22-48-17-16-45/h1-7,18-21,38,45H,8-17,22H2,(H,40,46)(H,41,47)/b39-21+