3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-phthalimido-propionamide Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H15N3O3S2/c1-26-19-21-14-7-6-11(10-15(14)27-19)20-16(23)8-9-22-17(24)12-4-2-3-5-13(12)18(22)25/h2-7,10H,8-9H2,1H3,(H,20,23)