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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]propanamide Traditional Name: N-[(2-methoxy-4-nitro-phenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C19H16N4O6S MolecularWeight: 428.41854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H16N4O6S/c1-29-15-10-11(23(27)28)6-7-14(15)20-19(30)21-16(24)8-9-22-17(25)12-4-2-3-5-13(12)18(22)26/h2-7,10H,8-9H2,1H3,(H2,20,21,24,30)