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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-iodophenyl)carbamothioyl]propanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-[(4-iodophenyl)carbamothioyl]propanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-[(4-iodoanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[(4-iodophenyl)carbamothioyl]propanamide Traditional Name: N-[(4-iodophenyl)thiocarbamoyl]-2-phthalimido-propionamide Formula: C18H14IN3O3S MolecularWeight: 479.29153

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=S)NC1=CC=C(C=C1)I)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)NC(=S)NC1=CC=C(C=C1)I)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H14IN3O3S/c1-10(22-16(24)13-4-2-3-5-14(13)17(22)25)15(23)21-18(26)20-12-8-6-11(19)7-9-12/h2-10H,1H3,(H2,20,21,23,26)