N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-9H-xanthene-9-carboxamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C26H25N3O2S2/c1-28(2)14-15-29(26-27-20-13-12-17(32-3)16-23(20)33-26)25(30)24-18-8-4-6-10-21(18)31-22-11-7-5-9-19(22)24/h4-13,16,24H,14-15H2,1-3H3