6,7-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 6,7-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 6,7-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 6,7-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-[4-(methylthio)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 6,7-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 1-keto-6,7-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C28H27N3O5S2 MolecularWeight: 549.66108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C5=CC=C(C=C5)SC

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C5=CC=C(C=C5)SC

InChI

InChI=1S/C28H27N3O5S2/c1-31-25(15-6-9-17(37-5)10-7-15)24(18-13-21(35-3)22(36-4)14-19(18)27(31)33)26(32)30-28-29-20-11-8-16(34-2)12-23(20)38-28/h6-14,24-25H,1-5H3,(H,29,30,32)