4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]butanamide

Systemtic Name: 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]butanamide Openeye Name: 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]butanamide CAS Name: 4-[(4-hydroxyphenyl)thio]-N-methyl-N-[[2-(4-methyl-1-piperazinyl)phenyl]methyl]butanamide IUPAC Name: 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]butanamide Traditional Name: 4-[(4-hydroxyphenyl)thio]-N-methyl-N-[2-(4-methylpiperazino)benzyl]butyramide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2CN(C)C(=O)CCCSC3=CC=C(C=C3)O

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2CN(C)C(=O)CCCSC3=CC=C(C=C3)O

InChI

InChI=1S/C23H31N3O2S/c1-24-13-15-26(16-14-24)22-7-4-3-6-19(22)18-25(2)23(28)8-5-17-29-21-11-9-20(27)10-12-21/h3-4,6-7,9-12,27H,5,8,13-18H2,1-2H3