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

Systemtic Name: (E)-N-[[(2-bromophenyl)carbonylamino]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[(2-bromobenzoyl)amino]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[[(2-bromophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[(2-bromobenzoyl)amino]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[(2-bromobenzoyl)amino]thiocarbamoyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=CC=C2Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=CC=C2Br)OC

InChI

InChI=1S/C19H18BrN3O4S/c1-26-15-9-7-12(11-16(15)27-2)8-10-17(24)21-19(28)23-22-18(25)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,22,25)(H2,21,23,24,28)/b10-8+