N-(2-aminophenyl)-5-[(3-methylbutanoylamino)methyl]thiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-5-[(3-methylbutanoylamino)methyl]thiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-5-[(3-methylbutanoylamino)methyl]thiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-5-[[(3-methyl-1-oxobutyl)amino]methyl]-2-thiophenecarboxamide IUPAC Name: N-(2-aminophenyl)-5-[(3-methylbutanoylamino)methyl]thiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-5-[(isovalerylamino)methyl]thiophene-2-carboxamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC1=CC=C(S1)C(=O)NC2=CC=CC=C2N

Isomeric SMILES

CC(C)CC(=O)NCC1=CC=C(S1)C(=O)NC2=CC=CC=C2N

InChI

InChI=1S/C17H21N3O2S/c1-11(2)9-16(21)19-10-12-7-8-15(23-12)17(22)20-14-6-4-3-5-13(14)18/h3-8,11H,9-10,18H2,1-2H3,(H,19,21)(H,20,22)