N-[3-[(E)-C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[(E)-C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[(E)-C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[(1E)-1-[(3-methyl-1-oxobutyl)hydrazinylidene]ethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[(E)-C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[(E)-N-(isovalerylamino)-C-methyl-carbonimidoyl]phenyl]thiophene-2-carboxamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NN=C(C)C1=CC(=CC=C1)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CC(=O)N/N=C(\C)/C1=CC(=CC=C1)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H21N3O2S/c1-12(2)10-17(22)21-20-13(3)14-6-4-7-15(11-14)19-18(23)16-8-5-9-24-16/h4-9,11-12H,10H2,1-3H3,(H,19,23)(H,21,22)/b20-13+