N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-(phenylmethyl)-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-(phenylmethyl)-2-phenylsulfanyl-ethanamide Openeye Name: N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-phenylsulfanyl-acetamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-(phenylmethyl)-2-(phenylthio)acetamide IUPAC Name: N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-phenylsulfanylacetamide Traditional Name: N-benzyl-N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-2-(phenylthio)acetamide Formula: C27H25BrN2OS MolecularWeight: 505.4692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CN2CC3=CC=C(C=C3)Br)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CN2CC3=CC=C(C=C3)Br)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C27H25BrN2OS/c28-24-15-13-23(14-16-24)18-29-17-7-10-25(29)20-30(19-22-8-3-1-4-9-22)27(31)21-32-26-11-5-2-6-12-26/h1-17H,18-21H2