3-(3,4-dimethylphenyl)sulfanyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[3-methyl-4-(4-methyl-1-piperazinyl)phenyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-[3-methyl-4-(4-methylpiperazino)phenyl]propionamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C)C)C

InChI

InChI=1S/C23H31N3OS/c1-17-5-7-21(16-18(17)2)28-14-9-23(27)24-20-6-8-22(19(3)15-20)26-12-10-25(4)11-13-26/h5-8,15-16H,9-14H2,1-4H3,(H,24,27)