N-(4-bromanyl-3-methyl-phenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-methylsulfanyl-2-(2-thienylsulfonylamino)butanamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(methylthio)-2-(thiophen-2-ylsulfonylamino)butanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(methylthio)-2-(2-thienylsulfonylamino)butyramide Formula: C16H19BrN2O3S3 MolecularWeight: 463.43266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=CS2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=CS2)Br

InChI

InChI=1S/C16H19BrN2O3S3/c1-11-10-12(5-6-13(11)17)18-16(20)14(7-9-23-2)19-25(21,22)15-4-3-8-24-15/h3-6,8,10,14,19H,7,9H2,1-2H3,(H,18,20)