N-(4-bromanyl-2,6-dimethyl-phenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C18H19BrN2O2S MolecularWeight: 407.32466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2CCCN2C(=O)C3=CC=CS3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2CCCN2C(=O)C3=CC=CS3)C)Br

InChI

InChI=1S/C18H19BrN2O2S/c1-11-9-13(19)10-12(2)16(11)20-17(22)14-5-3-7-21(14)18(23)15-6-4-8-24-15/h4,6,8-10,14H,3,5,7H2,1-2H3,(H,20,22)