4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-1-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2-[methyl-[4-(methylthio)benzyl]amino]acetyl]-N-phenyl-piperazine-1-carboxamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)CC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)CC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c1-24(16-18-8-10-20(29-2)11-9-18)17-21(27)25-12-14-26(15-13-25)22(28)23-19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3,(H,23,28)