2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(cyclododecylcarbamothioyl)ethanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(cyclododecylcarbamothioyl)ethanamide Openeye Name: N-(cyclododecylcarbamothioyl)-2-(1,3-dioxoisoindolin-2-yl)acetamide CAS Name: N-[(cyclododecylamino)-sulfanylidenemethyl]-2-(1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(cyclododecylcarbamothioyl)-2-(1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(cyclododecylthiocarbamoyl)-2-phthalimido-acetamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCCCC(CCCCC1)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C23H31N3O3S/c27-20(16-26-21(28)18-14-10-11-15-19(18)22(26)29)25-23(30)24-17-12-8-6-4-2-1-3-5-7-9-13-17/h10-11,14-15,17H,1-9,12-13,16H2,(H2,24,25,27,30)