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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(3-ethanoylphenyl)carbamothioyl]propanamide Openeye Name: N-[(3-acetylphenyl)carbamothioyl]-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[(3-acetylanilino)-sulfanylidenemethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[(3-acetylphenyl)carbamothioyl]-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[(3-acetylphenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-12(24)13-5-4-6-14(11-13)21-20(28)22-17(25)9-10-23-18(26)15-7-2-3-8-16(15)19(23)27/h2-8,11H,9-10H2,1H3,(H2,21,22,25,28)