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

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-(phenylmethyl)-2-phenylsulfanyl-ethanamide Openeye Name: N-benzyl-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-2-phenylsulfanyl-acetamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-N-(phenylmethyl)-2-(phenylthio)acetamide IUPAC Name: N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylsulfanylacetamide Traditional Name: N-benzyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-2-(phenylthio)acetamide Formula: C28H28N2OS MolecularWeight: 440.59972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(CC3=CC=CC=C3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(CC3=CC=CC=C3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C28H28N2OS/c1-23-11-8-9-14-25(23)20-29-18-10-15-26(29)21-30(19-24-12-4-2-5-13-24)28(31)22-32-27-16-6-3-7-17-27/h2-18H,19-22H2,1H3