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

Systemtic Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-phenylsulfanyl-ethanamide Openeye Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-phenylsulfanyl-acetamide CAS Name: N-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-N-cyclohexyl-2-(phenylthio)acetamide IUPAC Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-phenylsulfanylacetamide Traditional Name: N-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-N-cyclohexyl-2-(phenylthio)acetamide Formula: C26H29ClN2OS MolecularWeight: 453.03926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=CN2CC3=CC(=CC=C3)Cl)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=CN2CC3=CC(=CC=C3)Cl)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C26H29ClN2OS/c27-22-10-7-9-21(17-22)18-28-16-8-13-24(28)19-29(23-11-3-1-4-12-23)26(30)20-31-25-14-5-2-6-15-25/h2,5-10,13-17,23H,1,3-4,11-12,18-20H2