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

Systemtic Name: N-[3-[(E)-C-methyl-N-(3-phenylpropanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[(E)-C-methyl-N-(3-phenylpropanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[(1E)-1-[(1-oxo-3-phenylpropyl)hydrazinylidene]ethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[(E)-C-methyl-N-(3-phenylpropanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[(E)-N-(hydrocinnamoylamino)-C-methyl-carbonimidoyl]phenyl]thiophene-2-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CCC1=CC=CC=C1)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C/C(=N\NC(=O)CCC1=CC=CC=C1)/C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H21N3O2S/c1-16(24-25-21(26)13-12-17-7-3-2-4-8-17)18-9-5-10-19(15-18)23-22(27)20-11-6-14-28-20/h2-11,14-15H,12-13H2,1H3,(H,23,27)(H,25,26)/b24-16+