N-[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-3-[(3,4-dimethylphenyl)thio]propanamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: N-[5-chloro-2-(4-methylpiperazino)phenyl]-3-[(3,4-dimethylphenyl)thio]propionamide Formula: C22H28ClN3OS MolecularWeight: 417.99522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3OS/c1-16-4-6-19(14-17(16)2)28-13-8-22(27)24-20-15-18(23)5-7-21(20)26-11-9-25(3)10-12-26/h4-7,14-15H,8-13H2,1-3H3,(H,24,27)