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

Systemtic Name: N-(1-phenylethyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(1-phenylethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(1-phenylethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(1-phenylethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(1-phenylethyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C18H18N2O4S/c1-13(14-7-3-2-4-8-14)19-17(21)11-12-20-18(22)15-9-5-6-10-16(15)25(20,23)24/h2-10,13H,11-12H2,1H3,(H,19,21)