N-(3H-1,2-benzodioxol-6-ylmethyl)-8-methylsulfanyl-2-phenyl-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxamide

Systemtic Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-8-methylsulfanyl-2-phenyl-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxamide Openeye Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-8-methylsulfanyl-2-phenyl-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxamide CAS Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-8-(methylthio)-2-phenyl-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxamide IUPAC Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-8-methylsulfanyl-2-phenyl-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxamide Traditional Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-8-(methylthio)-2-phenyl-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxamide Formula: C25H20N2O3S3 MolecularWeight: 492.6329

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=C(S1)C(=O)NCC3=CC4=C(COO4)C=C3)CCC5=C2N=C(S5)C6=CC=CC=C6

Isomeric SMILES

CSC1=C2C(=C(S1)C(=O)NCC3=CC4=C(COO4)C=C3)CCC5=C2N=C(S5)C6=CC=CC=C6

InChI

InChI=1S/C25H20N2O3S3/c1-31-25-20-17(9-10-19-21(20)27-24(32-19)15-5-3-2-4-6-15)22(33-25)23(28)26-12-14-7-8-16-13-29-30-18(16)11-14/h2-8,11H,9-10,12-13H2,1H3,(H,26,28)