N-(2-phenylphenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide

Systemtic Name: N-(2-phenylphenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(2-phenylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(2-phenylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(2-phenylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(2-phenylphenyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H18N2O4S/c25-21(23-19-12-6-4-10-17(19)16-8-2-1-3-9-16)14-15-24-22(26)18-11-5-7-13-20(18)29(24,27)28/h1-13H,14-15H2,(H,23,25)