N-phenethyl-N-(thiophen-2-ylmethyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-phenethyl-N-(thiophen-2-ylmethyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-phenethyl-N-(2-thienylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-phenethyl-N-(thiophen-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-phenethyl-N-(thiophen-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-phenethyl-N-(2-thenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CS2)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CS2)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H20N2O4S2/c25-21(16-24-22(26)19-10-4-5-11-20(19)30(24,27)28)23(15-18-9-6-14-29-18)13-12-17-7-2-1-3-8-17/h1-11,14H,12-13,15-16H2