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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-ethylphenyl)carbamothioyl]propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-[(4-ethylphenyl)carbamothioyl]propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[(4-ethylanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[(4-ethylphenyl)carbamothioyl]propanamide Traditional Name: N-[(4-ethylphenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

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