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

Systemtic Name: N-[3-[(E)-N-[(3-bromophenyl)carbonylamino]-C-methyl-carbonimidoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[(E)-N-[(3-bromobenzoyl)amino]-C-methyl-carbonimidoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[(1E)-1-[[(3-bromophenyl)-oxomethyl]hydrazinylidene]ethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[(E)-N-[(3-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[(E)-N-[(3-bromobenzoyl)amino]-C-methyl-carbonimidoyl]phenyl]thiophene-2-carboxamide Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3O2S/c1-13(23-24-19(25)15-6-2-7-16(21)11-15)14-5-3-8-17(12-14)22-20(26)18-9-4-10-27-18/h2-12H,1H3,(H,22,26)(H,24,25)/b23-13+