N-(1,3-benzothiazol-2-yl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-ethyl-4-methylsulfanyl-butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-ethyl-4-methylsulfanyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)-N-ethyl-4-methylsulfanyl-butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxo-2-isoindolyl)-N-ethyl-4-(methylthio)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylsulfanylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-4-(methylthio)-2-phthalimido-butyramide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O3S2/c1-3-24(22-23-16-10-6-7-11-18(16)30-22)21(28)17(12-13-29-2)25-19(26)14-8-4-5-9-15(14)20(25)27/h4-11,17H,3,12-13H2,1-2H3