3-(4-bromophenyl)-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: 3-(4-bromophenyl)-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: 3-(4-bromophenyl)-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: 3-(4-bromophenyl)-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-bromophenyl)-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: 3-(4-bromophenyl)-N-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoyl]acrylamide Formula: C20H20BrN3O5S MolecularWeight: 494.3589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H20BrN3O5S/c1-27-15-10-13(11-16(28-2)18(15)29-3)19(26)23-24-20(30)22-17(25)9-6-12-4-7-14(21)8-5-12/h4-11H,1-3H3,(H,23,26)(H2,22,24,25,30)