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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2,6-dimethylphenyl)carbamothioyl]propanamide Openeye Name: N-[(2,6-dimethylphenyl)carbamothioyl]-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[(2,6-dimethylanilino)-sulfanylidenemethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[(2,6-dimethylphenyl)carbamothioyl]-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[(2,6-dimethylphenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19N3O3S/c1-12-6-5-7-13(2)17(12)22-20(27)21-16(24)10-11-23-18(25)14-8-3-4-9-15(14)19(23)26/h3-9H,10-11H2,1-2H3,(H2,21,22,24,27)