N-[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]-4-phenylsulfanyl-butanamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-phenylsulfanyl-butanamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-4-(phenylthio)butanamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-phenylsulfanylbutanamide Traditional Name: N-[5-chloro-2-(4-methylpiperazino)phenyl]-4-(phenylthio)butyramide Formula: C21H26ClN3OS MolecularWeight: 403.96864

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3OS/c1-24-11-13-25(14-12-24)20-10-9-17(22)16-19(20)23-21(26)8-5-15-27-18-6-3-2-4-7-18/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3,(H,23,26)