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

Systemtic Name: (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-N-(3-methylpyridin-2-yl)-5,7-dihydro-1-benzofuran-2-carboxamide Openeye Name: (4Z)-4-(carbamothioylhydrazono)-3,6,6-trimethyl-N-(3-methyl-2-pyridyl)-5,7-dihydrobenzofuran-2-carboxamide CAS Name: (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-N-(3-methyl-2-pyridinyl)-5,7-dihydrobenzofuran-2-carboxamide IUPAC Name: (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-N-(3-methylpyridin-2-yl)-5,7-dihydro-1-benzofuran-2-carboxamide Traditional Name: (4Z)-3,6,6-trimethyl-N-(3-methyl-2-pyridyl)-4-(thiocarbamoylhydrazono)-5,7-dihydrobenzofuran-2-carboxamide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=O)C2=C(C3=C(O2)CC(CC3=NNC(=S)N)(C)C)C

Isomeric SMILES

CC1=C(N=CC=C1)NC(=O)C2=C(C\3=C(O2)CC(C/C3=N/NC(=S)N)(C)C)C

InChI

InChI=1S/C19H23N5O2S/c1-10-6-5-7-21-16(10)22-17(25)15-11(2)14-12(23-24-18(20)27)8-19(3,4)9-13(14)26-15/h5-7H,8-9H2,1-4H3,(H3,20,24,27)(H,21,22,25)/b23-12-