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

Systemtic Name: 2-ethylsulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C20H21N3O3S3/c1-3-29(25,26)23-12-14-7-5-4-6-13(14)10-17(23)19(24)21-15-8-9-16-18(11-15)28-20(22-16)27-2/h4-9,11,17H,3,10,12H2,1-2H3,(H,21,24)