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

Systemtic Name: N-(phenylmethyl)-N-pyridin-2-yl-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-benzyl-N-(2-pyridyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(phenylmethyl)-N-(2-pyridinyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-benzyl-N-pyridin-2-yl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-N-(2-pyridyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H19N3O4S/c26-21(13-15-25-22(27)18-10-4-5-11-19(18)30(25,28)29)24(20-12-6-7-14-23-20)16-17-8-2-1-3-9-17/h1-12,14H,13,15-16H2