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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-phenethyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindolin-2-yl)-N-phenethyl-propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxo-2-isoindolyl)-N-phenethylpropanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)-N-phenethylpropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-phenethyl-3-phthalimido-propionamide Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CCN(C2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H21N3O3S/c30-23(15-17-29-24(31)19-10-4-5-11-20(19)25(29)32)28(16-14-18-8-2-1-3-9-18)26-27-21-12-6-7-13-22(21)33-26/h1-13H,14-17H2