4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-prop-2-enylsulfanylphenyl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-prop-2-enylsulfanylphenyl)butanamide Openeye Name: N-(2-allylsulfanylphenyl)-4-(1,3-dioxoisoindolin-2-yl)butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-[2-(prop-2-enylthio)phenyl]butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-(2-prop-2-enylsulfanylphenyl)butanamide Traditional Name: N-[2-(allylthio)phenyl]-4-phthalimido-butyramide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O3S/c1-2-14-27-18-11-6-5-10-17(18)22-19(24)12-7-13-23-20(25)15-8-3-4-9-16(15)21(23)26/h2-6,8-11H,1,7,12-14H2,(H,22,24)