(2E)-N-(4-bromophenyl)-2-(carbamothioylhydrazinylidene)-7-(diethylamino)chromene-3-carboxamide

Systemtic Name: (2E)-N-(4-bromophenyl)-2-(carbamothioylhydrazinylidene)-7-(diethylamino)chromene-3-carboxamide Openeye Name: (2E)-N-(4-bromophenyl)-2-(carbamothioylhydrazono)-7-(diethylamino)chromene-3-carboxamide CAS Name: (2E)-N-(4-bromophenyl)-2-(carbamothioylhydrazinylidene)-7-(diethylamino)-1-benzopyran-3-carboxamide IUPAC Name: (2E)-N-(4-bromophenyl)-2-(carbamothioylhydrazinylidene)-7-(diethylamino)chromene-3-carboxamide Traditional Name: (2E)-N-(4-bromophenyl)-7-(diethylamino)-2-(thiocarbamoylhydrazono)chromene-3-carboxamide Formula: C21H22BrN5O2S MolecularWeight: 488.40068

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=NNC(=S)N)O2)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(/C(=N\NC(=S)N)/O2)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN5O2S/c1-3-27(4-2)16-10-5-13-11-17(19(28)24-15-8-6-14(22)7-9-15)20(25-26-21(23)30)29-18(13)12-16/h5-12H,3-4H2,1-2H3,(H,24,28)(H3,23,26,30)/b25-20+