2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-butylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-butylphenyl)carbamothioyl]ethanamide Openeye Name: N-[(4-butylphenyl)carbamothioyl]-2-(1,3-dioxoisoindolin-2-yl)acetamide CAS Name: N-[(4-butylanilino)-sulfanylidenemethyl]-2-(1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[(4-butylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[(4-butylphenyl)thiocarbamoyl]-2-phthalimido-acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21N3O3S/c1-2-3-6-14-9-11-15(12-10-14)22-21(28)23-18(25)13-24-19(26)16-7-4-5-8-17(16)20(24)27/h4-5,7-12H,2-3,6,13H2,1H3,(H2,22,23,25,28)