N-(2-diethylaminoethyl)-3,4,5-triethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-(2-diethylaminoethyl)-3,4,5-triethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-diethylaminoethyl)-3,4,5-triethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-diethylaminoethyl)-3,4,5-triethoxy-N-[6-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-(2-diethylaminoethyl)-3,4,5-triethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-diethylaminoethyl)-3,4,5-triethoxy-N-[6-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C27H37N3O4S2 MolecularWeight: 531.73038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC

InChI

InChI=1S/C27H37N3O4S2/c1-7-29(8-2)14-15-30(27-28-21-13-12-20(35-6)18-24(21)36-27)26(31)19-16-22(32-9-3)25(34-11-5)23(17-19)33-10-4/h12-13,16-18H,7-11,14-15H2,1-6H3