(4E)-N-(1,3-benzodioxol-5-yl)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide

Systemtic Name: (4E)-N-(1,3-benzodioxol-5-yl)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-N-(1,3-benzodioxol-5-yl)-4-(carbamothioylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-N-(1,3-benzodioxol-5-yl)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-N-(1,3-benzodioxol-5-yl)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-N-(1,3-benzodioxol-5-yl)-3-methyl-4-(thiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N4O4S/c1-9-15-11(21-22-18(19)27)3-2-4-13(15)26-16(9)17(23)20-10-5-6-12-14(7-10)25-8-24-12/h5-7H,2-4,8H2,1H3,(H,20,23)(H3,19,22,27)/b21-11+