N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-(1,2-dimethylpropyl)-N-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-2-phenylsulfanyl-acetamide CAS Name: N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-2-(phenylthio)acetamide IUPAC Name: N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylsulfanylacetamide Traditional Name: N-(1,2-dimethylpropyl)-N-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-2-(phenylthio)acetamide Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2CN(C(C)C(C)C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2CN(C(C)C(C)C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C26H32N2OS/c1-20(2)22(4)28(26(29)19-30-25-13-6-5-7-14-25)18-24-12-9-15-27(24)17-23-11-8-10-21(3)16-23/h5-16,20,22H,17-19H2,1-4H3