N-(3-phenylmethoxypropyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(3-phenylmethoxypropyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(3-benzyloxypropyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(3-phenylmethoxypropyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(3-phenylmethoxypropyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(3-benzoxypropyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)COCCCNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C19H20N2O5S/c22-18(20-11-6-12-26-14-15-7-2-1-3-8-15)13-21-19(23)16-9-4-5-10-17(16)27(21,24)25/h1-5,7-10H,6,11-14H2,(H,20,22)