N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-(4-methylsulfanylphenyl)benzamide

Systemtic Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-(4-methylsulfanylphenyl)benzamide Openeye Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-(4-methylsulfanylphenyl)benzamide CAS Name: N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-3-methyl-4-[4-(methylthio)phenyl]benzamide IUPAC Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-(4-methylsulfanylphenyl)benzamide Traditional Name: N-[4-methoxy-3-(4-methylpiperazino)phenyl]-3-methyl-4-[4-(methylthio)phenyl]benzamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)OC)N3CCN(CC3)C)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)OC)N3CCN(CC3)C)C4=CC=C(C=C4)SC

InChI

InChI=1S/C27H31N3O2S/c1-19-17-21(7-11-24(19)20-5-9-23(33-4)10-6-20)27(31)28-22-8-12-26(32-3)25(18-22)30-15-13-29(2)14-16-30/h5-12,17-18H,13-16H2,1-4H3,(H,28,31)