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

Systemtic Name: (4Z)-4-(carbamothioylhydrazinylidene)-N-(3-imidazol-1-ylpropyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide Openeye Name: (4Z)-4-(carbamothioylhydrazono)-N-(3-imidazol-1-ylpropyl)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxamide CAS Name: (4Z)-4-(carbamothioylhydrazinylidene)-N-[3-(1-imidazolyl)propyl]-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxamide IUPAC Name: (4Z)-4-(carbamothioylhydrazinylidene)-N-(3-imidazol-1-ylpropyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide Traditional Name: (4Z)-N-(3-imidazol-1-ylpropyl)-3,6,6-trimethyl-4-(thiocarbamoylhydrazono)-5,7-dihydrobenzofuran-2-carboxamide Formula: C19H26N6O2S MolecularWeight: 402.51374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CC(C2)(C)C)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CC1=C(OC2=C1/C(=N\NC(=S)N)/CC(C2)(C)C)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C19H26N6O2S/c1-12-15-13(23-24-18(20)28)9-19(2,3)10-14(15)27-16(12)17(26)22-5-4-7-25-8-6-21-11-25/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,22,26)(H3,20,24,28)/b23-13-