(E)-N-[[(2-bromophenyl)carbonylamino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[[(2-bromophenyl)carbonylamino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-N-[[(2-bromobenzoyl)amino]carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-N-[[[(2-bromophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-N-[[(2-bromobenzoyl)amino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-N-[[(2-bromobenzoyl)amino]thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H16BrN3O2S/c1-12-6-8-13(9-7-12)10-11-16(23)20-18(25)22-21-17(24)14-4-2-3-5-15(14)19/h2-11H,1H3,(H,21,24)(H2,20,22,23,25)/b11-10+