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

Systemtic Name: N-phenethyl-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-phenethyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-phenethyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-phenethyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-phenethyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c21-17(19-12-10-14-6-2-1-3-7-14)11-13-20-18(22)15-8-4-5-9-16(15)25(20,23)24/h1-9H,10-13H2,(H,19,21)