N-[3-[[(4-methylsulfanylphenyl)methylamino]methyl]-5-pyrrolidin-1-ylcarbonyl-phenyl]ethanamide

Systemtic Name: N-[3-[[(4-methylsulfanylphenyl)methylamino]methyl]-5-pyrrolidin-1-ylcarbonyl-phenyl]ethanamide Openeye Name: N-[3-[[(4-methylsulfanylphenyl)methylamino]methyl]-5-(pyrrolidine-1-carbonyl)phenyl]acetamide CAS Name: N-[3-[[[4-(methylthio)phenyl]methylamino]methyl]-5-[oxo(1-pyrrolidinyl)methyl]phenyl]acetamide IUPAC Name: N-[3-[[(4-methylsulfanylphenyl)methylamino]methyl]-5-(pyrrolidine-1-carbonyl)phenyl]acetamide Traditional Name: N-[3-[[[4-(methylthio)benzyl]amino]methyl]-5-(pyrrolidine-1-carbonyl)phenyl]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)CNCC2=CC=C(C=C2)SC)C(=O)N3CCCC3

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)CNCC2=CC=C(C=C2)SC)C(=O)N3CCCC3

InChI

InChI=1S/C22H27N3O2S/c1-16(26)24-20-12-18(11-19(13-20)22(27)25-9-3-4-10-25)15-23-14-17-5-7-21(28-2)8-6-17/h5-8,11-13,23H,3-4,9-10,14-15H2,1-2H3,(H,24,26)