N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-benzoyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-benzoyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-benzoyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-benzoyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H21N3O2S2 MolecularWeight: 459.58314

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S2/c1-31-25-27-20-12-11-19(14-22(20)32-25)26-23(29)21-13-17-9-5-6-10-18(17)15-28(21)24(30)16-7-3-2-4-8-16/h2-12,14,21H,13,15H2,1H3,(H,26,29)