S-(1,3-benzothiazol-2-yl) (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carbothioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carbothioate Openeye Name: S-(1,3-benzothiazol-2-yl) (4Z)-4-(carbamothioylhydrazono)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carbothioate CAS Name: (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carbothioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carbothioate Traditional Name: (4Z)-3,6,6-trimethyl-4-(thiocarbamoylhydrazono)-5,7-dihydrobenzofuran-2-carbothioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C20H20N4O2S3 MolecularWeight: 444.5934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CC(C2)(C)C)C(=O)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(OC2=C1/C(=N\NC(=S)N)/CC(C2)(C)C)C(=O)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O2S3/c1-10-15-12(23-24-18(21)27)8-20(2,3)9-13(15)26-16(10)17(25)29-19-22-11-6-4-5-7-14(11)28-19/h4-7H,8-9H2,1-3H3,(H3,21,24,27)/b23-12-