N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylsulfanyl-ethanamide Openeye Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylsulfanyl-acetamide CAS Name: N-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-N-pentyl-2-(phenylthio)acetamide IUPAC Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylsulfanylacetamide Traditional Name: N-amyl-N-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-2-(phenylthio)acetamide Formula: C25H29ClN2OS MolecularWeight: 441.02856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C25H29ClN2OS/c1-2-3-7-15-28(25(29)20-30-24-13-5-4-6-14-24)19-23-12-9-16-27(23)18-21-10-8-11-22(26)17-21/h4-6,8-14,16-17H,2-3,7,15,18-20H2,1H3