3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-methoxy-5-methyl-phenyl)carbamothioyl]propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-methoxy-5-methyl-phenyl)carbamothioyl]propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-[(2-methoxy-5-methyl-phenyl)carbamothioyl]propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxy-5-methylphenyl)carbamothioyl]propanamide Traditional Name: N-[(2-methoxy-5-methyl-phenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19N3O4S/c1-12-7-8-16(27-2)15(11-12)21-20(28)22-17(24)9-10-23-18(25)13-5-3-4-6-14(13)19(23)26/h3-8,11H,9-10H2,1-2H3,(H2,21,22,24,28)