5-bromanyl-N-[4-(3-methylbutanoylamino)phenyl]thiophene-3-carboxamide

Systemtic Name: 5-bromanyl-N-[4-(3-methylbutanoylamino)phenyl]thiophene-3-carboxamide Openeye Name: 5-bromo-N-[4-(3-methylbutanoylamino)phenyl]thiophene-3-carboxamide CAS Name: 5-bromo-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-3-thiophenecarboxamide IUPAC Name: 5-bromo-N-[4-(3-methylbutanoylamino)phenyl]thiophene-3-carboxamide Traditional Name: 5-bromo-N-[4-(isovalerylamino)phenyl]thiophene-3-carboxamide Formula: C16H17BrN2O2S MolecularWeight: 381.28738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CSC(=C2)Br

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CSC(=C2)Br

InChI

InChI=1S/C16H17BrN2O2S/c1-10(2)7-15(20)18-12-3-5-13(6-4-12)19-16(21)11-8-14(17)22-9-11/h3-6,8-10H,7H2,1-2H3,(H,18,20)(H,19,21)