(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[(thiophen-2-ylcarbonylamino)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[(thiophen-2-ylcarbonylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[(2-thenoylamino)thiocarbamoyl]acrylamide Formula: C16H14BrN3O3S2 MolecularWeight: 440.33466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NNC(=O)C2=CC=CS2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=CS2

InChI

InChI=1S/C16H14BrN3O3S2/c1-23-12-6-5-11(17)9-10(12)4-7-14(21)18-16(24)20-19-15(22)13-3-2-8-25-13/h2-9H,1H3,(H,19,22)(H2,18,20,21,24)/b7-4+