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

Systemtic Name: (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-N-(4-nitrophenyl)-5,7-dihydro-1-benzofuran-2-carboxamide Openeye Name: (4Z)-4-(carbamothioylhydrazono)-3,6,6-trimethyl-N-(4-nitrophenyl)-5,7-dihydrobenzofuran-2-carboxamide CAS Name: (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-N-(4-nitrophenyl)-5,7-dihydrobenzofuran-2-carboxamide IUPAC Name: (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-N-(4-nitrophenyl)-5,7-dihydro-1-benzofuran-2-carboxamide Traditional Name: (4Z)-3,6,6-trimethyl-N-(4-nitrophenyl)-4-(thiocarbamoylhydrazono)-5,7-dihydrobenzofuran-2-carboxamide Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4S/c1-10-15-13(22-23-18(20)29)8-19(2,3)9-14(15)28-16(10)17(25)21-11-4-6-12(7-5-11)24(26)27/h4-7H,8-9H2,1-3H3,(H,21,25)(H3,20,23,29)/b22-13-