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

Systemtic Name: N-(3-phenylpropyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(3-phenylpropyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(3-phenylpropyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(3-phenylpropyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(3-phenylpropyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C19H20N2O4S/c22-18(20-13-6-9-15-7-2-1-3-8-15)12-14-21-19(23)16-10-4-5-11-17(16)26(21,24)25/h1-5,7-8,10-11H,6,9,12-14H2,(H,20,22)