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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[(2-ethyl-6-methylphenyl)carbamothioyl]propanamide Traditional Name: N-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

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