(E)-N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C18H15BrN4O4S MolecularWeight: 463.3051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C18H15BrN4O4S/c1-11-5-7-13(10-15(11)19)17(25)21-22-18(28)20-16(24)8-6-12-3-2-4-14(9-12)23(26)27/h2-10H,1H3,(H,21,25)(H2,20,22,24,28)/b8-6+