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

Systemtic Name: (E)-N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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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=C(C=C2)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O3S/c1-12-3-7-14(11-16(12)20)18(25)22-23-19(27)21-17(24)10-6-13-4-8-15(26-2)9-5-13/h3-11H,1-2H3,(H,22,25)(H2,21,23,24,27)/b10-6+