N-[3-(4-methylpiperazin-1-yl)carbonyl-5-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]ethanamide

Systemtic Name: N-[3-(4-methylpiperazin-1-yl)carbonyl-5-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]ethanamide Openeye Name: N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]acetamide CAS Name: N-[3-[(4-methyl-1-piperazinyl)-oxomethyl]-5-[[[4-(methylthio)phenyl]methylamino]methyl]phenyl]acetamide IUPAC Name: N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]acetamide Traditional Name: N-[3-(4-methylpiperazine-1-carbonyl)-5-[[[4-(methylthio)benzyl]amino]methyl]phenyl]acetamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)CNCC2=CC=C(C=C2)SC)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)CNCC2=CC=C(C=C2)SC)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C23H30N4O2S/c1-17(28)25-21-13-19(16-24-15-18-4-6-22(30-3)7-5-18)12-20(14-21)23(29)27-10-8-26(2)9-11-27/h4-7,12-14,24H,8-11,15-16H2,1-3H3,(H,25,28)