N4,N4-diethyl-N1-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzene-1,4-dicarboxamide

Systemtic Name: N4,N4-diethyl-N1-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzene-1,4-dicarboxamide Openeye Name: N4,N4-diethyl-N1-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]terephthalamide CAS Name: N4,N4-diethyl-N1-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzene-1,4-dicarboxamide IUPAC Name: 4-N,4-N-diethyl-1-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzene-1,4-dicarboxamide Traditional Name: N',N'-diethyl-N-(2-methylol-1,3-benzothiazol-5-yl)terephthalamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=N3)CO

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=N3)CO

InChI

InChI=1S/C20H21N3O3S/c1-3-23(4-2)20(26)14-7-5-13(6-8-14)19(25)21-15-9-10-17-16(11-15)22-18(12-24)27-17/h5-11,24H,3-4,12H2,1-2H3,(H,21,25)