(4Z)-4-(carbamothioylhydrazinylidene)-N-(4-methoxy-2-nitro-phenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: (4Z)-4-(carbamothioylhydrazinylidene)-N-(4-methoxy-2-nitro-phenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide Openeye Name: (4Z)-4-(carbamothioylhydrazono)-N-(4-methoxy-2-nitro-phenyl)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxamide CAS Name: (4Z)-4-(carbamothioylhydrazinylidene)-N-(4-methoxy-2-nitrophenyl)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxamide IUPAC Name: (4Z)-4-(carbamothioylhydrazinylidene)-N-(4-methoxy-2-nitrophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide Traditional Name: (4Z)-N-(4-methoxy-2-nitro-phenyl)-3,6,6-trimethyl-4-(thiocarbamoylhydrazono)-5,7-dihydrobenzofuran-2-carboxamide Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CC(C2)(C)C)C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1/C(=N\NC(=S)N)/CC(C2)(C)C)C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O5S/c1-10-16-13(23-24-19(21)31)8-20(2,3)9-15(16)30-17(10)18(26)22-12-6-5-11(29-4)7-14(12)25(27)28/h5-7H,8-9H2,1-4H3,(H,22,26)(H3,21,24,31)/b23-13-