N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-phenylsulfanyl-butanamide Openeye Name: N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-phenylsulfanyl-butanamide CAS Name: N-[3-methyl-4-(4-methyl-1-piperazinyl)phenyl]-4-(phenylthio)butanamide IUPAC Name: N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-phenylsulfanylbutanamide Traditional Name: N-[3-methyl-4-(4-methylpiperazino)phenyl]-4-(phenylthio)butyramide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCCSC2=CC=CC=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCCSC2=CC=CC=C2)N3CCN(CC3)C

InChI

InChI=1S/C22H29N3OS/c1-18-17-19(10-11-21(18)25-14-12-24(2)13-15-25)23-22(26)9-6-16-27-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3,(H,23,26)